N-(3-imidazol-1-ylpropyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(3-imidazol-1-ylpropyl)propanamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(3-imidazol-1-ylpropyl)propanamide Traditional Name: 3-(benzylthio)-N-(3-imidazol-1-ylpropyl)propionamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C16H21N3OS/c20-16(18-8-4-10-19-11-9-17-14-19)7-12-21-13-15-5-2-1-3-6-15/h1-3,5-6,9,11,14H,4,7-8,10,12-13H2,(H,18,20)