methyl 5-methyl-2-(2-methylpropylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(2-methylpropylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(isobutylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(2-methylpropylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(isobutylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCC(C)C)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC(C)C)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2S2/c1-11(2)10-19-18(23)20-16-15(17(21)22-4)14(12(3)24-16)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H2,19,20,23)