N-heptyl-N-(1H-imidazol-2-ylsulfanyl)-2,2-diphenyl-pentanamide

Systemtic Name: N-heptyl-N-(1H-imidazol-2-ylsulfanyl)-2,2-diphenyl-pentanamide Openeye Name: N-heptyl-N-(1H-imidazol-2-ylsulfanyl)-2,2-diphenyl-pentanamide CAS Name: N-heptyl-N-(1H-imidazol-2-ylthio)-2,2-diphenylpentanamide IUPAC Name: N-heptyl-N-(1H-imidazol-2-ylsulfanyl)-2,2-diphenylpentanamide Traditional Name: N-heptyl-N-(1H-imidazol-2-ylthio)-2,2-diphenyl-valeramide Formula: C27H35N3OS MolecularWeight: 449.6513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C(=O)C(CCC)(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC=CN3

Isomeric SMILES

CCCCCCCN(C(=O)C(CCC)(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC=CN3

InChI

InChI=1S/C27H35N3OS/c1-3-5-6-7-14-22-30(32-26-28-20-21-29-26)25(31)27(19-4-2,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-13,15-18,20-21H,3-7,14,19,22H2,1-2H3,(H,28,29)