N-(2-dimethylaminoethyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-2-(p-tolylthio)cinchoninamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN(C)C

InChI

InChI=1S/C21H23N3OS/c1-15-8-10-16(11-9-15)26-20-14-18(21(25)22-12-13-24(2)3)17-6-4-5-7-19(17)23-20/h4-11,14H,12-13H2,1-3H3,(H,22,25)