S-(phenylmethyl) N-hexan-3-yl-N-propyl-carbamothioate

Systemtic Name: S-(phenylmethyl) N-hexan-3-yl-N-propyl-carbamothioate Openeye Name: S-benzyl N-(1-ethylbutyl)-N-propyl-carbamothioate CAS Name: N-hexan-3-yl-N-propylcarbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-hexan-3-yl-N-propylcarbamothioate Traditional Name: N-(1-ethylbutyl)-N-propyl-thiocarbamic acid S-benzyl ester Formula: C17H27NOS MolecularWeight: 293.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)N(CCC)C(=O)SCC1=CC=CC=C1

Isomeric SMILES

CCCC(CC)N(CCC)C(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C17H27NOS/c1-4-10-16(6-3)18(13-5-2)17(19)20-14-15-11-8-7-9-12-15/h7-9,11-12,16H,4-6,10,13-14H2,1-3H3