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

Systemtic Name: ethyl 4-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H23ClN4O5S MolecularWeight: 442.91702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O5S/c1-3-28-17(27)10-9-15(25)21-18(29)23-22-16(26)8-7-14(24)20-13-6-4-5-12(19)11(13)2/h4-6H,3,7-10H2,1-2H3,(H,20,24)(H,22,26)(H2,21,23,25,29)