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]cyclohexanecarboxamide

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]cyclohexanecarboxamide 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]cyclohexanecarboxamide 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]cyclohexanecarboxamide 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]cyclohexanecarboxamide 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]cyclohexanecarboxamide Formula: C29H44N4O5S MolecularWeight: 560.74846

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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)C5CCCCC5

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)C5CCCCC5

InChI

InChI=1S/C29H44N4O5S/c1-18(35)32-11-13-33(14-12-32)24(37)15-20-25-21(16-22-28(20,2)10-9-23(36)29(22,3)17-34)39-27(30-25)31-26(38)19-7-5-4-6-8-19/h19-20,22-23,34,36H,4-17H2,1-3H3,(H,30,31,38)/t20-,22+,23-,28+,29+/m1/s1