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

Systemtic Name: ethyl 2-(dihexylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(dihexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(dihexylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(dihexylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(dihexylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C27H40N2O2S2 MolecularWeight: 488.7487

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2S2/c1-4-7-9-14-18-29(19-15-10-8-5-2)27(32)28-25-24(26(30)31-6-3)21-23(33-25)20-22-16-12-11-13-17-22/h11-13,16-17,21H,4-10,14-15,18-20H2,1-3H3,(H,28,32)