methyl 2-(3,3-diphenylpropylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C24H26N2O2S2/c1-16-17(2)30-22(21(16)23(27)28-3)26-24(29)25-15-14-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-15H2,1-3H3,(H2,25,26,29)