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

Systemtic Name: ethyl 4-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C20H21ClN4O4S/c1-2-29-19(28)13-7-9-14(10-8-13)22-20(30)25-24-18(27)12-11-17(26)23-16-6-4-3-5-15(16)21/h3-10H,2,11-12H2,1H3,(H,23,26)(H,24,27)(H2,22,25,30)