ethyl 2-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H23ClN4O4S2 MolecularWeight: 531.04682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C24H23ClN4O4S2/c1-2-33-23(32)16-14-19(15-8-4-3-5-9-15)35-22(16)27-24(34)29-28-21(31)13-12-20(30)26-18-11-7-6-10-17(18)25/h3-11,14H,2,12-13H2,1H3,(H,26,30)(H,28,31)(H2,27,29,34)