N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C19H21ClN2OS MolecularWeight: 360.90084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCCSC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCCSC3=CC=CC=C32)C

InChI

InChI=1S/C19H21ClN2OS/c1-13-10-14(2)19(15(20)11-13)21-18(23)12-22-8-5-9-24-17-7-4-3-6-16(17)22/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,21,23)