ethyl 4-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C17H21ClN4O5S MolecularWeight: 428.89044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=CC=CC=C1Cl

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=CC=CC=C1Cl

InChI

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