methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O2S2/c1-33-28(32)26-20-24(19-21-11-5-2-6-12-21)35-27(26)31-29(34)30-18-17-25(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25H,17-19H2,1H3,(H2,30,31,34)