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

Systemtic Name: methyl N-[5-cyano-1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]-N'-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[[[5-cyano-1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]amino]-methylsulfanyl-methylene]benzamide CAS Name: N'-benzoyl-N-[5-cyano-1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzoyl-N-[5-cyano-1-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamimidothioate Traditional Name: N-[[[5-cyano-1-(3,4-dichlorobenzyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-(methylthio)methylene]benzamide Formula: C26H22Cl2N4OS MolecularWeight: 509.45008

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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(=C(C=C4)Cl)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H22Cl2N4OS/c1-34-26(31-25(33)18-6-3-2-4-7-18)30-23-11-12-24-19(20(23)15-29)8-5-13-32(24)16-17-9-10-21(27)22(28)14-17/h2-4,6-7,9-12,14H,5,8,13,16H2,1H3,(H,30,31,33)