N-(3-chloranyl-4-cyano-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C18H16ClN3OS MolecularWeight: 357.85714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H16ClN3OS/c19-15-10-14(7-6-13(15)11-20)21-18(23)12-22-8-3-9-24-17-5-2-1-4-16(17)22/h1-2,4-7,10H,3,8-9,12H2,(H,21,23)