(phenylmethyl) N-[(E)-1-chloranyl-4-sulfanylidene-3-(trifluoromethyl)heptadec-8-enyl]carbamate

Systemtic Name: (phenylmethyl) N-[(E)-1-chloranyl-4-sulfanylidene-3-(trifluoromethyl)heptadec-8-enyl]carbamate Openeye Name: benzyl N-[(E)-1-chloro-4-thioxo-3-(trifluoromethyl)heptadec-8-enyl]carbamate CAS Name: N-[(E)-1-chloro-4-sulfanylidene-3-(trifluoromethyl)heptadec-8-enyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E)-1-chloro-4-sulfanylidene-3-(trifluoromethyl)heptadec-8-enyl]carbamate Traditional Name: N-[(E)-1-chloro-4-thioxo-3-(trifluoromethyl)heptadec-8-enyl]carbamic acid benzyl ester Formula: C26H37ClF3NO2S MolecularWeight: 520.09069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCC(=S)C(CC(NC(=O)OCC1=CC=CC=C1)Cl)C(F)(F)F

Isomeric SMILES

CCCCCCCC/C=C/CCCC(=S)C(CC(NC(=O)OCC1=CC=CC=C1)Cl)C(F)(F)F

InChI

InChI=1S/C26H37ClF3NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-18-23(34)22(26(28,29)30)19-24(27)31-25(32)33-20-21-16-13-12-14-17-21/h9-10,12-14,16-17,22,24H,2-8,11,15,18-20H2,1H3,(H,31,32)/b10-9+