N-(3-cyclohexylsulfanylpropyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H26N2O2S2 MolecularWeight: 426.59474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCC(CC1)SCCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H26N2O2S2/c26-22(24-13-6-14-28-17-7-2-1-3-8-17)16-11-12-21-19(15-16)25-23(27)18-9-4-5-10-20(18)29-21/h4-5,9-12,15,17H,1-3,6-8,13-14H2,(H,24,26)(H,25,27)