phenethyl 4-(cyclopentylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-(cyclopentylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(cyclopentylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(cyclopentylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-(cyclopentylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(cyclopentylthiocarbamoylamino)-4-keto-butyric acid phenethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

C1CCC(C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O3S/c21-16(20-18(24)19-15-8-4-5-9-15)10-11-17(22)23-13-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,19,20,21,24)