methyl N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carboximidothioate

Systemtic Name: methyl N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carboximidothioate Openeye Name: methyl N-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-2-carboximidothioate CAS Name: N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carboximidothioic acid methyl ester IUPAC Name: methyl N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carboximidothioate Traditional Name: N-tosyl-3,4-dihydro-1H-isoquinoline-2-carboximidothioic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCC3=CC=CC=C3C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCC3=CC=CC=C3C2)SC

InChI

InChI=1S/C18H20N2O2S2/c1-14-7-9-17(10-8-14)24(21,22)19-18(23-2)20-12-11-15-5-3-4-6-16(15)13-20/h3-10H,11-13H2,1-2H3