methyl 2-(dipentylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(dipentylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dipentylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(dipentylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dipentylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(diamylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H34N2O2S2 MolecularWeight: 446.66896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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