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

Systemtic Name: methyl 2-(decylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(decylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(decylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(decylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(decylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C24H34N2O2S2 MolecularWeight: 446.66896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C24H34N2O2S2/c1-3-4-5-6-7-8-9-13-16-25-24(29)26-22-21(23(27)28-2)18-20(30-22)17-19-14-11-10-12-15-19/h10-12,14-15,18H,3-9,13,16-17H2,1-2H3,(H2,25,26,29)