N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-(2-methyl-1-piperidyl)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(2-methyl-1-piperidinyl)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-[3-(2-methylpiperidino)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H27N3O2S/c1-16-7-4-5-13-26(16)14-6-12-24-22(27)17-10-11-21-19(15-17)25-23(28)18-8-2-3-9-20(18)29-21/h2-3,8-11,15-16H,4-7,12-14H2,1H3,(H,24,27)(H,25,28)