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

Systemtic Name: methyl 2-(nonylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(nonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(nonylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(nonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(nonylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2S2/c1-3-4-5-6-7-8-12-15-24-23(28)25-21-20(22(26)27-2)17-19(29-21)16-18-13-10-9-11-14-18/h9-11,13-14,17H,3-8,12,15-16H2,1-2H3,(H2,24,25,28)