5-(butylaminomethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-(butylaminomethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-(butylaminomethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-(butylaminomethyl)-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-(butylaminomethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-(butylaminomethyl)-3-(phenylthio)-1H-indole-2-carboxamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCCCNCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H23N3OS/c1-2-3-11-22-13-14-9-10-17-16(12-14)19(18(23-17)20(21)24)25-15-7-5-4-6-8-15/h4-10,12,22-23H,2-3,11,13H2,1H3,(H2,21,24)