ethyl 5-(phenylmethyl)-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[benzyl(phenyl)carbamothioyl]amino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[benzyl(phenyl)carbamothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[benzyl(phenyl)thiocarbamoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H26N2O2S2 MolecularWeight: 486.64824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O2S2/c1-2-32-27(31)25-19-24(18-21-12-6-3-7-13-21)34-26(25)29-28(33)30(23-16-10-5-11-17-23)20-22-14-8-4-9-15-22/h3-17,19H,2,18,20H2,1H3,(H,29,33)