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

Systemtic Name: methyl 5-ethyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-phenylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-phenylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-phenylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O2S2/c1-3-15-13-17(20(24)25-2)19(27-15)23-21(26)22-18-12-8-7-11-16(18)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H2,22,23,26)