2-[3-azanyl-4-oxidanylidene-2-(phenylmethyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide

Systemtic Name: 2-[3-azanyl-4-oxidanylidene-2-(phenylmethyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: 2-(3-amino-2-benzyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: 2-[3-amino-4-oxo-2-(phenylmethyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: 2-(3-amino-2-benzyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: 2-(3-amino-2-benzyl-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)N)N

InChI

InChI=1S/C18H19N3O2S/c19-16(22)11-21-13-8-4-5-9-14(13)24-15(17(20)18(21)23)10-12-6-2-1-3-7-12/h1-9,15,17H,10-11,20H2,(H2,19,22)