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

Systemtic Name: [1-[(4-methylphenyl)carbonylcarbamothioyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Openeye Name: [1-[(4-methylbenzoyl)carbamothioyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate CAS Name: thiocyanic acid [1-[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3,4-dihydro-2H-quinolin-6-yl] ester IUPAC Name: [1-[(4-methylbenzoyl)carbamothioyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Traditional Name: thiocyanic acid [1-(p-toluoylthiocarbamoyl)-3,4-dihydro-2H-quinolin-6-yl] ester Formula: C19H17N3OS2 MolecularWeight: 367.48778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3OS2/c1-13-4-6-14(7-5-13)18(23)21-19(24)22-10-2-3-15-11-16(25-12-20)8-9-17(15)22/h4-9,11H,2-3,10H2,1H3,(H,21,23,24)