3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-5-prop-2-enyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-5-prop-2-enyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-allyl-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-5-prop-2-enyl-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-prop-2-enylbenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-allyl-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC=C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC=C)C

InChI

InChI=1S/C29H29N3O2S/c1-4-14-32-25-19-22(12-13-27(25)35-26-11-6-5-9-23(26)29(32)34)28(33)31-17-15-30(16-18-31)24-10-7-8-20(2)21(24)3/h4-13,19H,1,14-18H2,2-3H3