methyl 2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(2,4-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(2,4-dimethylphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2S2/c1-15-10-11-20(16(2)12-15)17(3)25-24(29)26-22-21(23(27)28-4)14-19(30-22)13-18-8-6-5-7-9-18/h5-12,14,17H,13H2,1-4H3,(H2,25,26,29)