methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[2-(methylthio)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S3 MolecularWeight: 428.5907

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H20N2O2S3/c1-25-20(24)16-13-15(12-14-8-4-3-5-9-14)28-19(16)23-21(26)22-17-10-6-7-11-18(17)27-2/h3-11,13H,12H2,1-2H3,(H2,22,23,26)