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

Systemtic Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-butylphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H26N2O2S2/c1-3-5-9-17-12-14-19(15-13-17)25-24(29)26-22-20(23(27)28-4-2)16-21(30-22)18-10-7-6-8-11-18/h6-8,10-16H,3-5,9H2,1-2H3,(H2,25,26,29)