N-[[butyl(phenyl)amino]methyl]-3-methyl-2-pyridin-2-ylsulfanyl-butanamide

Systemtic Name: N-[[butyl(phenyl)amino]methyl]-3-methyl-2-pyridin-2-ylsulfanyl-butanamide Openeye Name: N-[(N-butylanilino)methyl]-3-methyl-2-(2-pyridylsulfanyl)butanamide CAS Name: N-[(N-butylanilino)methyl]-3-methyl-2-(2-pyridinylthio)butanamide IUPAC Name: N-[(N-butylanilino)methyl]-3-methyl-2-pyridin-2-ylsulfanylbutanamide Traditional Name: N-[(N-butylanilino)methyl]-3-methyl-2-(2-pyridylthio)butyramide Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CNC(=O)C(C(C)C)SC1=CC=CC=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCN(CNC(=O)C(C(C)C)SC1=CC=CC=N1)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3OS/c1-4-5-15-24(18-11-7-6-8-12-18)16-23-21(25)20(17(2)3)26-19-13-9-10-14-22-19/h6-14,17,20H,4-5,15-16H2,1-3H3,(H,23,25)