methyl N-[5-cyano-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-(phenylcarbonyl)carbamimidothioate

Systemtic Name: methyl N-[5-cyano-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[[[5-cyano-1-(1-naphthylmethyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-methylsulfanyl-methylene]benzamide CAS Name: N'-benzoyl-N-[5-cyano-1-(1-naphthalenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzoyl-N-[5-cyano-1-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamimidothioate Traditional Name: N-[[[5-cyano-1-(1-naphthylmethyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-(methylthio)methylene]benzamide Formula: C30H26N4OS MolecularWeight: 490.61864

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(=O)C1=CC=CC=C1)NC2=C(C3=C(C=C2)N(CCC3)CC4=CC=CC5=CC=CC=C54)C#N

Isomeric SMILES

CSC(=NC(=O)C1=CC=CC=C1)NC2=C(C3=C(C=C2)N(CCC3)CC4=CC=CC5=CC=CC=C54)C#N

InChI

InChI=1S/C30H26N4OS/c1-36-30(33-29(35)22-10-3-2-4-11-22)32-27-16-17-28-25(26(27)19-31)15-8-18-34(28)20-23-13-7-12-21-9-5-6-14-24(21)23/h2-7,9-14,16-17H,8,15,18,20H2,1H3,(H,32,33,35)