2-ethyl-4-methyl-2-phenyl-N-(sulfanylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 2-ethyl-4-methyl-2-phenyl-N-(sulfanylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 2-ethyl-4-methyl-2-phenyl-N-(sulfanylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 2-ethyl-N-(mercaptomethyl)-4-methyl-2-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 2-ethyl-4-methyl-2-phenyl-N-(sulfanylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: 2-ethyl-N-(mercaptomethyl)-4-methyl-2-phenyl-1,4-diazepane-1-carboxamide Formula: C16H25N3OS MolecularWeight: 307.4542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(CCCN1C(=O)NCS)C)C2=CC=CC=C2

Isomeric SMILES

CCC1(CN(CCCN1C(=O)NCS)C)C2=CC=CC=C2

InChI

InChI=1S/C16H25N3OS/c1-3-16(14-8-5-4-6-9-14)12-18(2)10-7-11-19(16)15(20)17-13-21/h4-6,8-9,21H,3,7,10-13H2,1-2H3,(H,17,20)