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

Systemtic Name: methyl N-[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[[[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-methylsulfanyl-methylene]benzamide CAS Name: N'-benzoyl-N-[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzoyl-N-[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]carbamimidothioate Traditional Name: N-[[[5-cyano-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-(methylthio)methylene]benzamide Formula: C23H24N4OS MolecularWeight: 404.52786

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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)CC4CC4)C#N

Isomeric SMILES

CSC(=NC(=O)C1=CC=CC=C1)NC2=C(C3=C(C=C2)N(CCC3)CC4CC4)C#N

InChI

InChI=1S/C23H24N4OS/c1-29-23(26-22(28)17-6-3-2-4-7-17)25-20-11-12-21-18(19(20)14-24)8-5-13-27(21)15-16-9-10-16/h2-4,6-7,11-12,16H,5,8-10,13,15H2,1H3,(H,25,26,28)