methyl 4-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CCC(=O)OC)NC(=O)C2CC2

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CCC(=O)OC)NC(=O)C2CC2

InChI

InChI=1S/C17H21N3O4S/c1-10-12(18-16(23)11-6-7-11)4-3-5-13(10)19-17(25)20-14(21)8-9-15(22)24-2/h3-5,11H,6-9H2,1-2H3,(H,18,23)(H2,19,20,21,25)