methyl 2-[(2-butan-2-ylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

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