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

Systemtic Name: 4-phenyl-3-propyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Openeye Name: 4-phenyl-3-propyl-N-[4-(3-pyridyl)butyl]benzenecarbothioamide CAS Name: 4-phenyl-3-propyl-N-[4-(3-pyridinyl)butyl]benzenecarbothioamide IUPAC Name: 4-phenyl-3-propyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Traditional Name: 4-phenyl-3-propyl-N-[4-(3-pyridyl)butyl]thiobenzamide Formula: C25H28N2S MolecularWeight: 388.56822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=S)NCCCCC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=S)NCCCCC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2S/c1-2-9-22-18-23(14-15-24(22)21-12-4-3-5-13-21)25(28)27-17-7-6-10-20-11-8-16-26-19-20/h3-5,8,11-16,18-19H,2,6-7,9-10,17H2,1H3,(H,27,28)