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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)-N-[4-(3-pyridyl)butyl]benzenecarbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)-N-[4-(3-pyridinyl)butyl]benzenecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide Traditional Name: 4-(3,4-dimethoxyphenyl)-N-[4-(3-pyridyl)butyl]thiobenzamide Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=S)NCCCCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=S)NCCCCC3=CN=CC=C3)OC

InChI

InChI=1S/C24H26N2O2S/c1-27-22-13-12-21(16-23(22)28-2)19-8-10-20(11-9-19)24(29)26-15-4-3-6-18-7-5-14-25-17-18/h5,7-14,16-17H,3-4,6,15H2,1-2H3,(H,26,29)