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

Systemtic Name: N-cyclopropyl-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-cyclopropyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopropyl-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-N-cyclopropyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H20N2O2S MolecularWeight: 400.4928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C24H20N2O2S/c27-23(25-18-11-12-18)17-10-13-22-20(14-17)26(15-16-6-2-1-3-7-16)24(28)19-8-4-5-9-21(19)29-22/h1-10,13-14,18H,11-12,15H2,(H,25,27)