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

Systemtic Name: 2-phenoxyethyl 2-[1-(cyclohexylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[1-(cyclohexanecarbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[1-(cyclohexanecarbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(cyclohexanecarbonylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O5S/c26-19(30-14-13-29-17-9-5-2-6-10-17)15-18-21(28)23-11-12-25(18)22(31)24-20(27)16-7-3-1-4-8-16/h2,5-6,9-10,16,18H,1,3-4,7-8,11-15H2,(H,23,28)(H,24,27,31)