5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-[2-keto-2-[3-methyl-4-(m-tolyl)piperazino]ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C(=O)CCSC4=CC=CC=C43

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C(=O)CCSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2S/c1-17-6-5-7-19(14-17)25-12-11-24(15-18(25)2)23(28)16-26-20-8-3-4-9-21(20)29-13-10-22(26)27/h3-9,14,18H,10-13,15-16H2,1-2H3