N-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]azepane-1-carboxamide

Systemtic Name: N-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]azepane-1-carboxamide Openeye Name: N-(5-benzyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)azepane-1-carboxamide CAS Name: N-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]-1-azepanecarboxamide IUPAC Name: N-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)azepane-1-carboxamide Traditional Name: N-(5-benzyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)azepane-1-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c31-26-22-12-6-7-13-24(22)33-25-15-14-21(28-27(32)29-16-8-1-2-9-17-29)18-23(25)30(26)19-20-10-4-3-5-11-20/h3-7,10-15,18H,1-2,8-9,16-17,19H2,(H,28,32)