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

Systemtic Name: ethyl 2-[(4-phenylmethoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-benzyloxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-benzoxyphenyl)thiocarbamoylamino]-5-benzyl-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(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O3S2/c1-2-32-27(31)25-18-24(17-20-9-5-3-6-10-20)35-26(25)30-28(34)29-22-13-15-23(16-14-22)33-19-21-11-7-4-8-12-21/h3-16,18H,2,17,19H2,1H3,(H2,29,30,34)