S-ethyl N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methyl-butan-2-yl]carbamothioate

Systemtic Name: S-ethyl N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methyl-butan-2-yl]carbamothioate Openeye Name: S-ethyl N-[1-[1-(4-cyanophenyl)ethylsulfonylmethyl]-2-methyl-propyl]carbamothioate CAS Name: N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamothioic acid S-ethyl ester IUPAC Name: S-ethyl N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamothioate Traditional Name: N-[1-[1-(4-cyanophenyl)ethylsulfonylmethyl]-2-methyl-propyl]thiocarbamic acid S-ethyl ester Formula: C17H24N2O3S2 MolecularWeight: 368.51406

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)NC(CS(=O)(=O)C(C)C1=CC=C(C=C1)C#N)C(C)C

Isomeric SMILES

CCSC(=O)NC(CS(=O)(=O)C(C)C1=CC=C(C=C1)C#N)C(C)C

InChI

InChI=1S/C17H24N2O3S2/c1-5-23-17(20)19-16(12(2)3)11-24(21,22)13(4)15-8-6-14(10-18)7-9-15/h6-9,12-13,16H,5,11H2,1-4H3,(H,19,20)