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

Systemtic Name: [1-[(4-nitrophenyl)carbonylcarbamothioyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Openeye Name: [1-[(4-nitrobenzoyl)carbamothioyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate CAS Name: thiocyanic acid [1-[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3,4-dihydro-2H-quinolin-6-yl] ester IUPAC Name: [1-[(4-nitrobenzoyl)carbamothioyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Traditional Name: thiocyanic acid [1-[(4-nitrobenzoyl)thiocarbamoyl]-3,4-dihydro-2H-quinolin-6-yl] ester Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)SC#N)N(C1)C(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C=CC(=C2)SC#N)N(C1)C(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S2/c19-11-27-15-7-8-16-13(10-15)2-1-9-21(16)18(26)20-17(23)12-3-5-14(6-4-12)22(24)25/h3-8,10H,1-2,9H2,(H,20,23,26)