methyl 5-methyl-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[benzyl(phenyl)carbamothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[benzyl(phenyl)carbamothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[benzyl(phenyl)thiocarbamoyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O2S2/c1-15-13-18(20(24)25-2)19(27-15)22-21(26)23(17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3,(H,22,26)