cyclohexyl 2-[(2R)-1-[(4-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC3CCCCC3

InChI

InChI=1S/C22H29N3O5S/c1-2-29-16-10-8-15(9-11-16)20(27)24-22(31)25-13-12-23-21(28)18(25)14-19(26)30-17-6-4-3-5-7-17/h8-11,17-18H,2-7,12-14H2,1H3,(H,23,28)(H,24,27,31)/t18-/m1/s1