methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2,3-dimethylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2,3-dimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2,3-dimethylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S2/c1-14-8-7-11-19(15(14)2)23-22(27)24-20-18(21(25)26-3)13-17(28-20)12-16-9-5-4-6-10-16/h4-11,13H,12H2,1-3H3,(H2,23,24,27)