methyl 5-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(p-tolylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methylbenzyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O2S2/c1-14-9-11-16(12-10-14)13-23-22(27)24-20-19(21(25)26-3)18(15(2)28-20)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H2,23,24,27)