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

Systemtic Name: methyl N-[5-cyano-1-(phenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[[(1-benzyl-5-cyano-3,4-dihydro-2H-quinolin-6-yl)amino]-methylsulfanyl-methylene]benzamide CAS Name: N'-benzoyl-N-[5-cyano-1-(phenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzoyl-N-(1-benzyl-5-cyano-3,4-dihydro-2H-quinolin-6-yl)carbamimidothioate Traditional Name: N-[[(1-benzyl-5-cyano-3,4-dihydro-2H-quinolin-6-yl)amino]-(methylthio)methylene]benzamide Formula: C26H24N4OS MolecularWeight: 440.55996

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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=CC=C4)C#N

Isomeric SMILES

CSC(=NC(=O)C1=CC=CC=C1)NC2=C(C3=C(C=C2)N(CCC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H24N4OS/c1-32-26(29-25(31)20-11-6-3-7-12-20)28-23-14-15-24-21(22(23)17-27)13-8-16-30(24)18-19-9-4-2-5-10-19/h2-7,9-12,14-15H,8,13,16,18H2,1H3,(H,28,29,31)