[3-(thiophen-3-ylmethoxy)phenyl] 2-carbamothioyl-4-(2-methylphenyl)butaneperoxoate

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-carbamothioyl-4-(2-methylphenyl)butaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-carbamothioyl-4-(o-tolyl)butaneperoxoate CAS Name: 2-carbamothioyl-4-(2-methylphenyl)butaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-carbamothioyl-4-(2-methylphenyl)butaneperoxoate Traditional Name: 4-(o-tolyl)-2-thiocarbamoyl-peroxybutyric acid [3-(3-thenyloxy)phenyl] ester Formula: C23H23NO4S2 MolecularWeight: 441.56302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=S)N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=S)N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C23H23NO4S2/c1-16-5-2-3-6-18(16)9-10-21(22(24)29)23(25)28-27-20-8-4-7-19(13-20)26-14-17-11-12-30-15-17/h2-8,11-13,15,21H,9-10,14H2,1H3,(H2,24,29)