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

Systemtic Name: methyl 2-[(3-methylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(m-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3-methylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(m-tolylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

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