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

Systemtic Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O2S2/c1-16-15-20(22(26)27-2)21(29-16)25-23(28)24-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3,(H2,24,25,28)