N-[6-chloranyl-7-(2-dimethylaminoethylsulfanyl)-9H-pyrido[3,4-b]indol-8-yl]-2-methyl-pyridine-3-carboxamide

Systemtic Name: N-[6-chloranyl-7-(2-dimethylaminoethylsulfanyl)-9H-pyrido[3,4-b]indol-8-yl]-2-methyl-pyridine-3-carboxamide Openeye Name: N-[6-chloro-7-(2-dimethylaminoethylsulfanyl)-9H-pyrido[3,4-b]indol-8-yl]-2-methyl-pyridine-3-carboxamide CAS Name: N-[6-chloro-7-(2-dimethylaminoethylthio)-9H-pyrido[3,4-b]indol-8-yl]-2-methyl-3-pyridinecarboxamide IUPAC Name: N-[6-chloro-7-(2-dimethylaminoethylsulfanyl)-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide Traditional Name: N-[6-chloro-7-(2-dimethylaminoethylthio)-9H-$b-carbolin-8-yl]-2-methyl-nicotinamide Formula: C22H22ClN5OS MolecularWeight: 439.96098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)NC2=C3C(=CC(=C2SCCN(C)C)Cl)C4=C(N3)C=NC=C4

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)NC2=C3C(=CC(=C2SCCN(C)C)Cl)C4=C(N3)C=NC=C4

InChI

InChI=1S/C22H22ClN5OS/c1-13-14(5-4-7-25-13)22(29)27-20-19-16(15-6-8-24-12-18(15)26-19)11-17(23)21(20)30-10-9-28(2)3/h4-8,11-12,26H,9-10H2,1-3H3,(H,27,29)