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

Systemtic Name: ethyl 2-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25ClN4O4S2 MolecularWeight: 545.0734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C25H25ClN4O4S2/c1-3-34-24(33)22-21(16-9-5-4-6-10-16)15(2)36-23(22)28-25(35)30-29-20(32)14-13-19(31)27-18-12-8-7-11-17(18)26/h4-12H,3,13-14H2,1-2H3,(H,27,31)(H,29,32)(H2,28,30,35)