[1-[(4-methylphenyl)sulfonylcarbamoyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate

Systemtic Name: [1-[(4-methylphenyl)sulfonylcarbamoyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Openeye Name: [1-(p-tolylsulfonylcarbamoyl)-3,4-dihydro-2H-quinolin-6-yl] thiocyanate CAS Name: thiocyanic acid [1-[[(4-methylphenyl)sulfonylamino]-oxomethyl]-3,4-dihydro-2H-quinolin-6-yl] ester IUPAC Name: [1-[(4-methylphenyl)sulfonylcarbamoyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Traditional Name: thiocyanic acid [1-(tosylcarbamoyl)-3,4-dihydro-2H-quinolin-6-yl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCC3=C2C=CC(=C3)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCC3=C2C=CC(=C3)SC#N

InChI

InChI=1S/C18H17N3O3S2/c1-13-4-7-16(8-5-13)26(23,24)20-18(22)21-10-2-3-14-11-15(25-12-19)6-9-17(14)21/h4-9,11H,2-3,10H2,1H3,(H,20,22)