phenethyl 4-[(cyclohexylcarbonylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(cyclohexylcarbonylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(cyclohexanecarbonylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[cyclohexyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(cyclohexanecarbonylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(cyclohexanecarbonylamino)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O4S/c24-17(11-12-18(25)27-14-13-15-7-3-1-4-8-15)21-20(28)23-22-19(26)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,22,26)(H2,21,23,24,28)