N-[3-(1H-indol-2-yl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxamide

Systemtic Name: N-[3-(1H-indol-2-yl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxamide Openeye Name: N-[3-(1H-indol-2-yl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxamide CAS Name: N-[3-(1H-indol-2-yl)phenyl]-1-[3-(methylthio)-1-oxopropyl]-3-piperidinecarboxamide IUPAC Name: N-[3-(1H-indol-2-yl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxamide Traditional Name: N-[3-(1H-indol-2-yl)phenyl]-1-[3-(methylthio)propanoyl]nipecotamide Formula: C24H27N3O2S MolecularWeight: 421.55508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CSCCC(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C24H27N3O2S/c1-30-13-11-23(28)27-12-5-8-19(16-27)24(29)25-20-9-4-7-17(14-20)22-15-18-6-2-3-10-21(18)26-22/h2-4,6-7,9-10,14-15,19,26H,5,8,11-13,16H2,1H3,(H,25,29)