2,2-bis(3-methylsulfanylphenyl)-N-(4-pyridin-3-ylbutyl)cyclopropane-1-carboxamide

Systemtic Name: 2,2-bis(3-methylsulfanylphenyl)-N-(4-pyridin-3-ylbutyl)cyclopropane-1-carboxamide Openeye Name: 2,2-bis(3-methylsulfanylphenyl)-N-[4-(3-pyridyl)butyl]cyclopropanecarboxamide CAS Name: 2,2-bis[3-(methylthio)phenyl]-N-[4-(3-pyridinyl)butyl]-1-cyclopropanecarboxamide IUPAC Name: 2,2-bis(3-methylsulfanylphenyl)-N-(4-pyridin-3-ylbutyl)cyclopropane-1-carboxamide Traditional Name: 2,2-bis[3-(methylthio)phenyl]-N-[4-(3-pyridyl)butyl]cyclopropanecarboxamide Formula: C27H30N2OS2 MolecularWeight: 462.6699

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C2(CC2C(=O)NCCCCC3=CN=CC=C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CSC1=CC=CC(=C1)C2(CC2C(=O)NCCCCC3=CN=CC=C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C27H30N2OS2/c1-31-23-12-5-10-21(16-23)27(22-11-6-13-24(17-22)32-2)18-25(27)26(30)29-15-4-3-8-20-9-7-14-28-19-20/h5-7,9-14,16-17,19,25H,3-4,8,15,18H2,1-2H3,(H,29,30)