S-pent-4-ynyl N-but-3-enyl-N-(4-methylphenyl)sulfonyl-carbamothioate

Systemtic Name: S-pent-4-ynyl N-but-3-enyl-N-(4-methylphenyl)sulfonyl-carbamothioate Openeye Name: S-pent-4-ynyl N-but-3-enyl-N-(p-tolylsulfonyl)carbamothioate CAS Name: N-but-3-enyl-N-(4-methylphenyl)sulfonylcarbamothioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl N-but-3-enyl-N-(4-methylphenyl)sulfonylcarbamothioate Traditional Name: N-but-3-enyl-N-tosyl-thiocarbamic acid S-pent-4-ynyl ester Formula: C17H21NO3S2 MolecularWeight: 351.48354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S2/c1-4-6-8-14-22-17(19)18(13-7-5-2)23(20,21)16-11-9-15(3)10-12-16/h1,5,9-12H,2,6-8,13-14H2,3H3