phenethyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O4S/c30-25(15-16-26(31)33-20-18-22-9-5-2-6-10-22)29-27(34)28-23-11-13-24(14-12-23)32-19-17-21-7-3-1-4-8-21/h2,5-6,9-14,21H,1,3-4,7-8,15-20H2,(H2,28,29,30,34)