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

Systemtic Name: O-propan-2-yl N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methyl-butan-2-yl]carbamothioate Openeye Name: O-isopropyl N-[1-[1-(4-cyanophenyl)ethylsulfonylmethyl]-2-methyl-propyl]carbamothioate CAS Name: N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamothioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamothioate Traditional Name: N-[1-[1-(4-cyanophenyl)ethylsulfonylmethyl]-2-methyl-propyl]thiocarbamic acid O-isopropyl ester Formula: C18H26N2O3S2 MolecularWeight: 382.54064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)C(C)C1=CC=C(C=C1)C#N)NC(=S)OC(C)C

Isomeric SMILES

CC(C)C(CS(=O)(=O)C(C)C1=CC=C(C=C1)C#N)NC(=S)OC(C)C

InChI

InChI=1S/C18H26N2O3S2/c1-12(2)17(20-18(24)23-13(3)4)11-25(21,22)14(5)16-8-6-15(10-19)7-9-16/h6-9,12-14,17H,11H2,1-5H3,(H,20,24)