methyl 4-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C15H20ClN3O3S MolecularWeight: 357.8556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H20ClN3O3S/c1-10-11(16)5-3-6-12(10)19-13(20)9-18-15(23)17-8-4-7-14(21)22-2/h3,5-6H,4,7-9H2,1-2H3,(H,19,20)(H2,17,18,23)