2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl]thio]cinchoninamide Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C20H25N3O2S/c1-13-7-9-14(10-8-13)23(2)19(24)12-26-18-11-16(20(21)25)15-5-3-4-6-17(15)22-18/h3-6,11,13-14H,7-10,12H2,1-2H3,(H2,21,25)