6-oxidanylidene-5-(propan-2-ylideneamino)-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-5-(propan-2-ylideneamino)-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-(isopropylideneamino)-6-oxo-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-5-(propan-2-ylideneamino)-N-[2-(1-pyrrolidinyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-oxo-5-(propan-2-ylideneamino)-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(isopropylideneamino)-6-keto-N-(2-pyrrolidinoethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1C2=C(C=CC(=C2)C(=O)NCCN3CCCC3)SC4=CC=CC=C4C1=O)C

Isomeric SMILES

CC(=NN1C2=C(C=CC(=C2)C(=O)NCCN3CCCC3)SC4=CC=CC=C4C1=O)C

InChI

InChI=1S/C23H26N4O2S/c1-16(2)25-27-19-15-17(22(28)24-11-14-26-12-5-6-13-26)9-10-21(19)30-20-8-4-3-7-18(20)23(27)29/h3-4,7-10,15H,5-6,11-14H2,1-2H3,(H,24,28)