methyl 2-(decylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(decylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(decylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(decylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(decylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(decylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2S2/c1-3-4-5-6-7-8-9-13-16-24-23(28)25-21-19(22(26)27-2)17-20(29-21)18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3,(H2,24,25,28)