3-phenylpropyl 4-[[cyclohexyl(methyl)carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[cyclohexyl(methyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[cyclohexyl(methyl)carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[cyclohexyl(methyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[cyclohexyl(methyl)carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[cyclohexyl(methyl)thiocarbamoyl]amino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CN(C1CCCCC1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O3S/c1-23(18-12-6-3-7-13-18)21(27)22-19(24)14-15-20(25)26-16-8-11-17-9-4-2-5-10-17/h2,4-5,9-10,18H,3,6-8,11-16H2,1H3,(H,22,24,27)