2-(4-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(4-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-[(4-methylpiperazin-1-yl)methyl]-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-(4-methylphenyl)-3-[(4-methyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-(4-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-[(4-methylpiperazino)methyl]-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)CN4CCN(CC4)C

InChI

InChI=1S/C22H27N3OS/c1-16-7-9-17(10-8-16)21-18(15-25-13-11-24(2)12-14-25)22(26)23-19-5-3-4-6-20(19)27-21/h3-10,18,21H,11-15H2,1-2H3,(H,23,26)