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

Systemtic Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C28H26N2O2S2 MolecularWeight: 486.64824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O2S2/c1-32-27(31)24-19-25(22-15-9-4-10-16-22)34-26(24)30-28(33)29-18-17-23(20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16,19,23H,17-18H2,1H3,(H2,29,30,33)