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

Systemtic Name: methyl 2-(dihexylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dihexylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(dihexylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dihexylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(dihexylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H36N2O2S2 MolecularWeight: 460.69554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2S2/c1-4-6-8-13-17-27(18-14-9-7-5-2)25(30)26-23-21(24(28)29-3)19-22(31-23)20-15-11-10-12-16-20/h10-12,15-16,19H,4-9,13-14,17-18H2,1-3H3,(H,26,30)