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

Systemtic Name: methyl 2-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[4-(3,4-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(3,4-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[[4-(3,4-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)CCC(=O)NC2=CC(=C(C=C2)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)CCC(=O)NC2=CC(=C(C=C2)C)C)C(=O)OC

InChI

InChI=1S/C21H26N4O4S2/c1-5-15-11-16(20(28)29-4)19(31-15)23-21(30)25-24-18(27)9-8-17(26)22-14-7-6-12(2)13(3)10-14/h6-7,10-11H,5,8-9H2,1-4H3,(H,22,26)(H,24,27)(H2,23,25,30)