5-[(pentylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-[(pentylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-[(pentylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-[(pentylamino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-[(pentylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-[(amylamino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C21H25N3OS MolecularWeight: 367.5077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCCCCNCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H25N3OS/c1-2-3-7-12-23-14-15-10-11-18-17(13-15)20(19(24-18)21(22)25)26-16-8-5-4-6-9-16/h4-6,8-11,13,23-24H,2-3,7,12,14H2,1H3,(H2,22,25)