cyclohexyl 2-[1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(4-methoxyphenyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid cyclohexyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-29-16-9-7-15(8-10-16)13-19(26)24-22(31)25-12-11-23-21(28)18(25)14-20(27)30-17-5-3-2-4-6-17/h7-10,17-18H,2-6,11-14H2,1H3,(H,23,28)(H,24,26,31)