N-[[5-cyano-1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide

Systemtic Name: N-[[5-cyano-1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Openeye Name: N-[[5-cyano-1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide CAS Name: N-[[[5-cyano-1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-cyano-1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Traditional Name: N-[[5-cyano-1-(3,4-dichlorobenzyl)-3,4-dihydro-2H-quinolin-6-yl]thiocarbamoyl]benzamide Formula: C25H20Cl2N4OS MolecularWeight: 495.4235

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3)N(C1)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC2=C(C=CC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3)N(C1)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H20Cl2N4OS/c26-20-9-8-16(13-21(20)27)15-31-12-4-7-18-19(14-28)22(10-11-23(18)31)29-25(33)30-24(32)17-5-2-1-3-6-17/h1-3,5-6,8-11,13H,4,7,12,15H2,(H2,29,30,32,33)