S-pent-4-ynyl N-(4-methylphenyl)sulfonyl-N-(2-prop-1-en-2-ylphenyl)carbamothioate

Systemtic Name: S-pent-4-ynyl N-(4-methylphenyl)sulfonyl-N-(2-prop-1-en-2-ylphenyl)carbamothioate Openeye Name: S-pent-4-ynyl N-(2-isopropenylphenyl)-N-(p-tolylsulfonyl)carbamothioate CAS Name: N-[2-(1-methylethenyl)phenyl]-N-(4-methylphenyl)sulfonylcarbamothioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl N-(4-methylphenyl)sulfonyl-N-(2-prop-1-en-2-ylphenyl)carbamothioate Traditional Name: N-(2-isopropenylphenyl)-N-tosyl-thiocarbamic acid S-pent-4-ynyl ester Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2C(=C)C)C(=O)SCCCC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2C(=C)C)C(=O)SCCCC#C

InChI

InChI=1S/C22H23NO3S2/c1-5-6-9-16-27-22(24)23(21-11-8-7-10-20(21)17(2)3)28(25,26)19-14-12-18(4)13-15-19/h1,7-8,10-15H,2,6,9,16H2,3-4H3