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

Systemtic Name: methyl 5-methyl-2-(pentylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(pentylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(pentylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(pentylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(amylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H24N2O2S2/c1-4-5-9-12-20-19(24)21-17-16(18(22)23-3)15(13(2)25-17)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12H2,1-3H3,(H2,20,21,24)