N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-2-[(4-ethylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazino]ethyl]-2-[(4-ethylphenyl)thio]cinchoninamide Formula: C30H31ClN4OS MolecularWeight: 531.11134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H31ClN4OS/c1-2-22-10-12-25(13-11-22)37-29-21-27(26-8-3-4-9-28(26)33-29)30(36)32-14-15-34-16-18-35(19-17-34)24-7-5-6-23(31)20-24/h3-13,20-21H,2,14-19H2,1H3,(H,32,36)