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

Systemtic Name: propyl 4-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H23ClN4O5S MolecularWeight: 442.91702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O5S/c1-2-11-28-17(27)10-9-15(25)21-18(29)23-22-16(26)8-7-14(24)20-13-6-4-3-5-12(13)19/h3-6H,2,7-11H2,1H3,(H,20,24)(H,22,26)(H2,21,23,25,29)