(phenylmethyl) 2-[1-(cyclohexylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-(cyclohexylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-(cyclohexanecarbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(cyclohexanecarbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(cyclohexanecarbonylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c25-18(28-14-15-7-3-1-4-8-15)13-17-20(27)22-11-12-24(17)21(29)23-19(26)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,22,27)(H,23,26,29)