methyl 2-[(4-methylphenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-methylphenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(p-tolylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-methylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-methylbenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O2S2/c1-15-8-10-17(11-9-15)14-23-22(27)24-20-19(21(25)26-2)13-18(28-20)12-16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3,(H2,23,24,27)