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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OC)NC(=O)C2CC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OC)NC(=O)C2CC2

InChI

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