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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-propyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)-3-propyl-N-[4-(3-pyridyl)butyl]benzenecarbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)-3-propyl-N-[4-(3-pyridinyl)butyl]benzenecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-propyl-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Traditional Name: 4-(3,4-dimethoxyphenyl)-3-propyl-N-[4-(3-pyridyl)butyl]thiobenzamide Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2S/c1-4-8-21-17-23(27(32)29-16-6-5-9-20-10-7-15-28-19-20)11-13-24(21)22-12-14-25(30-2)26(18-22)31-3/h7,10-15,17-19H,4-6,8-9,16H2,1-3H3,(H,29,32)