methyl 2-(naphthalen-1-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(naphthalen-1-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(1-naphthylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(naphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1-naphthylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C24H20N2O2S2 MolecularWeight: 432.5578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H20N2O2S2/c1-28-23(27)20-15-18(14-16-8-3-2-4-9-16)30-22(20)26-24(29)25-21-13-7-11-17-10-5-6-12-19(17)21/h2-13,15H,14H2,1H3,(H2,25,26,29)