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

Systemtic Name: N-[[5-cyano-1-(naphthalen-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Openeye Name: N-[[5-cyano-1-(2-naphthylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide CAS Name: N-[[[5-cyano-1-(2-naphthalenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-cyano-1-(naphthalen-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamothioyl]benzamide Traditional Name: N-[[5-cyano-1-(2-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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC2=C(C=CC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3)N(C1)CC4=CC5=CC=CC=C5C=C4

InChI

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