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

Systemtic Name: [1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Openeye Name: [1-[(2,4-dichlorobenzoyl)carbamothioyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate CAS Name: thiocyanic acid [1-[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3,4-dihydro-2H-quinolin-6-yl] ester IUPAC Name: [1-[(2,4-dichlorobenzoyl)carbamothioyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate Traditional Name: thiocyanic acid [1-[(2,4-dichlorobenzoyl)thiocarbamoyl]-3,4-dihydro-2H-quinolin-6-yl] ester Formula: C18H13Cl2N3OS2 MolecularWeight: 422.35132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)SC#N)N(C1)C(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CC2=C(C=CC(=C2)SC#N)N(C1)C(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3OS2/c19-12-3-5-14(15(20)9-12)17(24)22-18(25)23-7-1-2-11-8-13(26-10-21)4-6-16(11)23/h3-6,8-9H,1-2,7H2,(H,22,24,25)