2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-16-8-10-17(11-9-16)22-20(25)14-23(2)21(26)15-24-12-5-13-27-19-7-4-3-6-18(19)24/h3-4,6-11H,5,12-15H2,1-2H3,(H,22,25)