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

Systemtic Name: methyl 4-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H21ClN4O5S MolecularWeight: 428.89044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C17H21ClN4O5S/c1-10-11(18)4-3-5-12(10)19-13(23)6-7-15(25)21-22-17(28)20-14(24)8-9-16(26)27-2/h3-5H,6-9H2,1-2H3,(H,19,23)(H,21,25)(H2,20,22,24,28)