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

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-5-prop-2-enyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-allyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-5-prop-2-enyl-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-prop-2-enylbenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-allyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC=C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC=C

InChI

InChI=1S/C28H27N3O3S/c1-3-14-31-23-19-20(12-13-26(23)35-25-11-7-4-8-21(25)28(31)33)27(32)30-17-15-29(16-18-30)22-9-5-6-10-24(22)34-2/h3-13,19H,1,14-18H2,2H3