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

Systemtic Name: methyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[(4-sec-butylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(4-sec-butylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2S2/c1-4-15(2)16-10-12-18(13-11-16)24-23(28)25-21-19(22(26)27-3)14-20(29-21)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H2,24,25,28)