N-butyl-N-phenyl-5-(phenylmethylsulfanyl)-1H-indole-2-carboxamide

Systemtic Name: N-butyl-N-phenyl-5-(phenylmethylsulfanyl)-1H-indole-2-carboxamide Openeye Name: 5-benzylsulfanyl-N-butyl-N-phenyl-1H-indole-2-carboxamide CAS Name: N-butyl-N-phenyl-5-(phenylmethylthio)-1H-indole-2-carboxamide IUPAC Name: 5-benzylsulfanyl-N-butyl-N-phenyl-1H-indole-2-carboxamide Traditional Name: 5-(benzylthio)-N-butyl-N-phenyl-1H-indole-2-carboxamide Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(N2)C=CC(=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(N2)C=CC(=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2OS/c1-2-3-16-28(22-12-8-5-9-13-22)26(29)25-18-21-17-23(14-15-24(21)27-25)30-19-20-10-6-4-7-11-20/h4-15,17-18,27H,2-3,16,19H2,1H3