3-pentyl-4-phenyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide

Systemtic Name: 3-pentyl-4-phenyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Openeye Name: 3-pentyl-4-phenyl-N-[4-(3-pyridyl)butyl]benzenecarbothioamide CAS Name: 3-pentyl-4-phenyl-N-[4-(3-pyridinyl)butyl]benzenecarbothioamide IUPAC Name: 3-pentyl-4-phenyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Traditional Name: 3-amyl-4-phenyl-N-[4-(3-pyridyl)butyl]thiobenzamide Formula: C27H32N2S MolecularWeight: 416.62138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)C(=S)NCCCCC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)C(=S)NCCCCC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H32N2S/c1-2-3-5-15-24-20-25(16-17-26(24)23-13-6-4-7-14-23)27(30)29-19-9-8-11-22-12-10-18-28-21-22/h4,6-7,10,12-14,16-18,20-21H,2-3,5,8-9,11,15,19H2,1H3,(H,29,30)