[1-(4-ethanoylphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl] thiocyanate

Systemtic Name: [1-(4-ethanoylphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl] thiocyanate Openeye Name: [1-(4-acetylphenyl)-2-(p-tolylsulfonylamino)ethyl] thiocyanate CAS Name: thiocyanic acid [1-(4-acetylphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl] ester IUPAC Name: [1-(4-acetylphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl] thiocyanate Traditional Name: thiocyanic acid [1-(4-acetylphenyl)-2-(tosylamino)ethyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)C(=O)C)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)C(=O)C)SC#N

InChI

InChI=1S/C18H18N2O3S2/c1-13-3-9-17(10-4-13)25(22,23)20-11-18(24-12-19)16-7-5-15(6-8-16)14(2)21/h3-10,18,20H,11H2,1-2H3