ethyl 2-[(2-butylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-butylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-butylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-butylanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-butylphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-butylphenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H28N2O2S2/c1-4-6-12-18-13-10-11-16-20(18)26-25(30)27-23-22(24(28)29-5-2)21(17(3)31-23)19-14-8-7-9-15-19/h7-11,13-16H,4-6,12H2,1-3H3,(H2,26,27,30)