4-methyl-N-(1-phenyl-3-sulfanyl-propan-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-methyl-N-(1-phenyl-3-sulfanyl-propan-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(1-benzyl-2-sulfanyl-ethyl)-4-methyl-1,4-diazepane-1-carboxamide CAS Name: N-(1-mercapto-3-phenylpropan-2-yl)-4-methyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-methyl-N-(1-phenyl-3-sulfanylpropan-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(1-benzyl-2-mercapto-ethyl)-4-methyl-1,4-diazepane-1-carboxamide Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)NC(CC2=CC=CC=C2)CS

Isomeric SMILES

CN1CCCN(CC1)C(=O)NC(CC2=CC=CC=C2)CS

InChI

InChI=1S/C16H25N3OS/c1-18-8-5-9-19(11-10-18)16(20)17-15(13-21)12-14-6-3-2-4-7-14/h2-4,6-7,15,21H,5,8-13H2,1H3,(H,17,20)