N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H19N3OS2/c20-10-13-25-17-8-3-1-6-15(17)21-19(23)14-22-11-5-12-24-18-9-4-2-7-16(18)22/h1-4,6-9H,5,11-14H2,(H,21,23)