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

Systemtic Name: methyl 2-(dihexylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(dihexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(dihexylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(dihexylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(dihexylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C26H38N2O2S2 MolecularWeight: 474.72212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O2S2/c1-4-6-8-13-17-28(18-14-9-7-5-2)26(31)27-24-23(25(29)30-3)20-22(32-24)19-21-15-11-10-12-16-21/h10-12,15-16,20H,4-9,13-14,17-19H2,1-3H3,(H,27,31)