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

Systemtic Name: phenethyl 2-[1-(cyclohexylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(cyclohexanecarbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(cyclohexanecarbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(cyclohexanecarbonylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c26-19(29-14-11-16-7-3-1-4-8-16)15-18-21(28)23-12-13-25(18)22(30)24-20(27)17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,23,28)(H,24,27,30)