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

Systemtic Name: methyl 5-(phenylmethyl)-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-phenylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-phenylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H22N2O2S2 MolecularWeight: 458.59508

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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=C3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S2/c1-30-25(29)22-17-20(16-18-10-4-2-5-11-18)32-24(22)28-26(31)27-23-15-9-8-14-21(23)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H2,27,28,31)