ethyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H28N2O2S2 MolecularWeight: 500.67482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O2S2/c1-2-33-28(32)25-20-26(23-16-10-5-11-17-23)35-27(25)31-29(34)30-19-18-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24H,2,18-19H2,1H3,(H2,30,31,34)