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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzyloxyphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-benzoxyphenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H26N2O3S2 MolecularWeight: 502.64764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O3S2/c1-3-32-27(31)25-24(21-12-8-5-9-13-21)19(2)35-26(25)30-28(34)29-22-14-16-23(17-15-22)33-18-20-10-6-4-7-11-20/h4-17H,3,18H2,1-2H3,(H2,29,30,34)