3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-[3-methyl-4-(p-tolyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-oxomethyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-[3-methyl-4-(p-tolyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C26H25N3O2S/c1-17-7-10-20(11-8-17)29-14-13-28(16-18(29)2)26(31)19-9-12-24-22(15-19)27-25(30)21-5-3-4-6-23(21)32-24/h3-12,15,18H,13-14,16H2,1-2H3,(H,27,30)