methyl 2-[1-(4-methylphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(4-methylphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[1-(p-tolyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-methylphenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-[1-(p-tolyl)ethylthiocarbamoylamino]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)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

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