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

Systemtic Name: 3-phenylpropyl 2-[1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C27H31N3O6S MolecularWeight: 525.61654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)OC

InChI

InChI=1S/C27H31N3O6S/c1-34-22-12-10-20(17-23(22)35-2)11-13-24(31)29-27(37)30-15-14-28-26(33)21(30)18-25(32)36-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,17,21H,6,9,14-16,18H2,1-2H3,(H,28,33)(H,29,31,37)/b13-11+