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]morpholine-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]morpholine-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]morpholine-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]-4-morpholinecarboxamide 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]morpholine-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]morpholine-4-carboxamide Formula: C27H41N5O6S MolecularWeight: 563.70934

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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)N5CCOCC5

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)N5CCOCC5

InChI

InChI=1S/C27H41N5O6S/c1-17(34)30-6-8-31(9-7-30)22(36)14-18-23-19(15-20-26(18,2)5-4-21(35)27(20,3)16-33)39-24(28-23)29-25(37)32-10-12-38-13-11-32/h18,20-21,33,35H,4-16H2,1-3H3,(H,28,29,37)/t18-,20+,21-,26+,27+/m1/s1