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

Systemtic Name: 2-[3-azanyl-2-(4-chlorophenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: 2-[3-amino-2-(4-chlorophenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: 2-[3-amino-2-(4-chlorophenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: 2-[3-amino-2-(4-chlorophenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: 2-[3-amino-2-(4-chlorophenyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)Cl)N)CC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)Cl)N)CC(=O)N

InChI

InChI=1S/C17H16ClN3O2S/c18-11-7-5-10(6-8-11)16-15(20)17(23)21(9-14(19)22)12-3-1-2-4-13(12)24-16/h1-8,15-16H,9,20H2,(H2,19,22)