N-(2-morpholin-4-ylethyl)-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-(2-morpholinoethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-morpholinyl)ethyl]-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-(2-morpholin-4-ylethyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-6-keto-N-(2-morpholinoethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3S/c31-26(28-12-13-29-14-16-33-17-15-29)21-10-11-25-23(18-21)30(19-20-6-2-1-3-7-20)27(32)22-8-4-5-9-24(22)34-25/h1-11,18H,12-17,19H2,(H,28,31)