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

Systemtic Name: N-[[5-cyano-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Openeye Name: N-[[5-cyano-1-(1-naphthylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide CAS Name: N-[[[5-cyano-1-(1-naphthalenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-cyano-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Traditional Name: N-[[5-cyano-1-(1-naphthylmethyl)-3,4-dihydro-2H-quinolin-6-yl]thiocarbamoyl]benzamide Formula: C29H24N4OS MolecularWeight: 476.59206

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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=CC5=CC=CC=C54

Isomeric SMILES

C1CC2=C(C=CC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3)N(C1)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H24N4OS/c30-18-25-24-14-7-17-33(19-22-12-6-11-20-8-4-5-13-23(20)22)27(24)16-15-26(25)31-29(35)32-28(34)21-9-2-1-3-10-21/h1-6,8-13,15-16H,7,14,17,19H2,(H2,31,32,34,35)