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

Systemtic Name: propyl 4-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C19H25ClN4O5S MolecularWeight: 456.9436

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=C(C(=CC=C1)Cl)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=C(C(=CC=C1)Cl)C

InChI

InChI=1S/C19H25ClN4O5S/c1-3-11-29-18(28)10-9-16(26)22-19(30)24-23-17(27)8-7-15(25)21-14-6-4-5-13(20)12(14)2/h4-6H,3,7-11H2,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,30)