4-(3,4-dimethoxyphenyl)-3-pentyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-pentyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)-3-pentyl-N-[4-(3-pyridyl)butyl]benzenecarbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)-3-pentyl-N-[4-(3-pyridinyl)butyl]benzenecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-pentyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Traditional Name: 3-amyl-4-(3,4-dimethoxyphenyl)-N-[4-(3-pyridyl)butyl]thiobenzamide Formula: C29H36N2O2S MolecularWeight: 476.67334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O2S/c1-4-5-6-12-23-19-25(29(34)31-18-8-7-10-22-11-9-17-30-21-22)13-15-26(23)24-14-16-27(32-2)28(20-24)33-3/h9,11,13-17,19-21H,4-8,10,12,18H2,1-3H3,(H,31,34)