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

Systemtic Name: methyl 5-methyl-2-[[2-(phenylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[2-(phenylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzylphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-benzylphenyl)thiocarbamoylamino]-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)NC2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

InChI

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