N-(1-phenyl-3-sulfanyl-propan-2-yl)azepane-1-carboxamide

Systemtic Name: N-(1-phenyl-3-sulfanyl-propan-2-yl)azepane-1-carboxamide Openeye Name: N-(1-benzyl-2-sulfanyl-ethyl)azepane-1-carboxamide CAS Name: N-(1-mercapto-3-phenylpropan-2-yl)-1-azepanecarboxamide IUPAC Name: N-(1-phenyl-3-sulfanylpropan-2-yl)azepane-1-carboxamide Traditional Name: N-(1-benzyl-2-mercapto-ethyl)azepane-1-carboxamide Formula: C16H24N2OS MolecularWeight: 292.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC(CC2=CC=CC=C2)CS

Isomeric SMILES

C1CCCN(CC1)C(=O)NC(CC2=CC=CC=C2)CS

InChI

InChI=1S/C16H24N2OS/c19-16(18-10-6-1-2-7-11-18)17-15(13-20)12-14-8-4-3-5-9-14/h3-5,8-9,15,20H,1-2,6-7,10-13H2,(H,17,19)