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

Systemtic Name: methyl 2-[(4-methylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(p-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(4-methylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-(p-tolylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2S2/c1-13-8-10-15(11-9-13)21-20(25)22-18-16(19(23)24-2)12-17(26-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,21,22,25)