S-(3-pentan-2-ylphenyl) N-carbonocyanidoyl-N-methyl-carbamothioate

Systemtic Name: S-(3-pentan-2-ylphenyl) N-carbonocyanidoyl-N-methyl-carbamothioate Openeye Name: S-[3-(1-methylbutyl)phenyl] N-carbonocyanidoyl-N-methyl-carbamothioate CAS Name: N-carbonocyanidoyl-N-methylcarbamothioic acid S-(3-pentan-2-ylphenyl) ester IUPAC Name: S-(3-pentan-2-ylphenyl) N-carbonocyanidoyl-N-methylcarbamothioate Traditional Name: N-carbonocyanidoyl-N-methyl-thiocarbamic acid S-[3-(1-methylbutyl)phenyl] ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC(=CC=C1)SC(=O)N(C)C(=O)C#N

Isomeric SMILES

CCCC(C)C1=CC(=CC=C1)SC(=O)N(C)C(=O)C#N

InChI

InChI=1S/C15H18N2O2S/c1-4-6-11(2)12-7-5-8-13(9-12)20-15(19)17(3)14(18)10-16/h5,7-9,11H,4,6H2,1-3H3