N-(3-butylsulfanylpropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(butylthio)propyl]-6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(butylthio)propyl]-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H30N2OS2 MolecularWeight: 426.6378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3C(=N2)C)C)C

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3C(=N2)C)C)C

InChI

InChI=1S/C24H30N2OS2/c1-5-6-13-28-14-7-12-25-24(27)19-10-11-21-20(15-19)26-18(4)22-16(2)8-9-17(3)23(22)29-21/h8-11,15H,5-7,12-14H2,1-4H3,(H,25,27)