O-octan-2-yl N-methyl-N-(1-phenylethyl)carbamothioate

Systemtic Name: O-octan-2-yl N-methyl-N-(1-phenylethyl)carbamothioate Openeye Name: O-(1-methylheptyl) N-methyl-N-(1-phenylethyl)carbamothioate CAS Name: N-methyl-N-(1-phenylethyl)carbamothioic acid O-octan-2-yl ester IUPAC Name: O-octan-2-yl N-methyl-N-(1-phenylethyl)carbamothioate Traditional Name: N-methyl-N-(1-phenylethyl)thiocarbamic acid O-(1-methylheptyl) ester Formula: C18H29NOS MolecularWeight: 307.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=S)N(C)C(C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C)OC(=S)N(C)C(C)C1=CC=CC=C1

InChI

InChI=1S/C18H29NOS/c1-5-6-7-9-12-15(2)20-18(21)19(4)16(3)17-13-10-8-11-14-17/h8,10-11,13-16H,5-7,9,12H2,1-4H3