5-chloranyl-N-(2-oxidanylpropyl)-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-chloranyl-N-(2-oxidanylpropyl)-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-chloro-N-(2-hydroxypropyl)-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-chloro-N-(2-hydroxypropyl)-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-chloro-N-(2-hydroxypropyl)-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-chloro-N-(2-hydroxypropyl)-3-(phenylthio)-1H-indole-2-carboxamide Formula: C18H17ClN2O2S MolecularWeight: 360.85778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=CC=CC=C3)O

Isomeric SMILES

CC(CNC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=CC=CC=C3)O

InChI

InChI=1S/C18H17ClN2O2S/c1-11(22)10-20-18(23)16-17(24-13-5-3-2-4-6-13)14-9-12(19)7-8-15(14)21-16/h2-9,11,21-22H,10H2,1H3,(H,20,23)