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

Systemtic Name: N-[[5-cyano-1-(phenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-5-cyano-3,4-dihydro-2H-quinolin-6-yl)carbamothioyl]benzamide CAS Name: N-[[[5-cyano-1-(phenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzyl-5-cyano-3,4-dihydro-2H-quinolin-6-yl)carbamothioyl]benzamide Traditional Name: N-[(1-benzyl-5-cyano-3,4-dihydro-2H-quinolin-6-yl)thiocarbamoyl]benzamide Formula: C25H22N4OS MolecularWeight: 426.53338

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4OS/c26-16-21-20-12-7-15-29(17-18-8-3-1-4-9-18)23(20)14-13-22(21)27-25(31)28-24(30)19-10-5-2-6-11-19/h1-6,8-11,13-14H,7,12,15,17H2,(H2,27,28,30,31)