cyclohexyl 2-[1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3)OC

InChI

InChI=1S/C24H31N3O6S/c1-31-19-10-8-16(14-20(19)32-2)9-11-21(28)26-24(34)27-13-12-25-23(30)18(27)15-22(29)33-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13,15H2,1-2H3,(H,25,30)(H,26,28,34)/b11-9+