methyl 4-[(4-butan-2-yloxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4-butan-2-yloxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-oxo-4-[(4-sec-butoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-butan-2-yloxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-butan-2-yloxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-sec-butoxyphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-4-11(2)22-13-7-5-12(6-8-13)17-16(23)18-14(19)9-10-15(20)21-3/h5-8,11H,4,9-10H2,1-3H3,(H2,17,18,19,23)