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

Systemtic Name: methyl 5-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-(undecylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(undecylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C24H34N2O2S2 MolecularWeight: 446.66896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C24H34N2O2S2/c1-3-4-5-6-7-8-9-10-14-17-25-24(29)26-22-20(23(27)28-2)18-21(30-22)19-15-12-11-13-16-19/h11-13,15-16,18H,3-10,14,17H2,1-2H3,(H2,25,26,29)