2-(1-methylimidazol-2-yl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(1-methylimidazol-2-yl)sulfanyl-butanamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(1-methylimidazol-2-yl)sulfanylbutanamide Traditional Name: N-benzyl-2-[(1-methylimidazol-2-yl)thio]butyramide Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC=CN2C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC=CN2C

InChI

InChI=1S/C15H19N3OS/c1-3-13(20-15-16-9-10-18(15)2)14(19)17-11-12-7-5-4-6-8-12/h4-10,13H,3,11H2,1-2H3,(H,17,19)