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

Systemtic Name: methyl 5-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(2-phenylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(2-phenylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H20N2O2S2 MolecularWeight: 444.5685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O2S2/c1-29-24(28)20-16-22(18-12-6-3-7-13-18)31-23(20)27-25(30)26-21-15-9-8-14-19(21)17-10-4-2-5-11-17/h2-16H,1H3,(H2,26,27,30)