ethyl 5-phenyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzyloxyphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-benzoxyphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H24N2O3S2 MolecularWeight: 488.62106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3S2/c1-2-31-26(30)23-17-24(20-11-7-4-8-12-20)34-25(23)29-27(33)28-21-13-15-22(16-14-21)32-18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3,(H2,28,29,33)