N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloranyl-pyridine-4-carboxamide

Systemtic Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloranyl-pyridine-4-carboxamide Openeye Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-pyridine-4-carboxamide CAS Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-4-pyridinecarboxamide IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloropyridine-4-carboxamide Traditional Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-acetylpiperazino)-2-keto-ethyl]-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-isonicotinamide Formula: C28H36ClN5O5S MolecularWeight: 590.13394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)C5=CC(=NC=C5)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C[C@@H]2C3=C(C[C@H]4[C@]2(CC[C@H]([C@@]4(C)CO)O)C)SC(=N3)NC(=O)C5=CC(=NC=C5)Cl

InChI

InChI=1S/C28H36ClN5O5S/c1-16(36)33-8-10-34(11-9-33)23(38)13-18-24-19(14-20-27(18,2)6-4-21(37)28(20,3)15-35)40-26(31-24)32-25(39)17-5-7-30-22(29)12-17/h5,7,12,18,20-21,35,37H,4,6,8-11,13-15H2,1-3H3,(H,31,32,39)/t18-,20+,21-,27+,28+/m1/s1