ethyl 2-(dipentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(dipentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(dipentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(dipentylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(dipentylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(diamylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H34N2O2S2 MolecularWeight: 446.66896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C24H34N2O2S2/c1-4-7-12-16-26(17-13-8-5-2)24(29)25-22-20(23(27)28-6-3)18-21(30-22)19-14-10-9-11-15-19/h9-11,14-15,18H,4-8,12-13,16-17H2,1-3H3,(H,25,29)