2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Openeye Name: N-[1-(4-benzyl-1,4-diazepane-1-carbonyl)-3-methylsulfanyl-propyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide IUPAC Name: N-[1-(4-benzyl-1,4-diazepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide Traditional Name: N-[1-(4-benzyl-1,4-diazepane-1-carbonyl)-3-(methylthio)propyl]-2-chloro-benzamide Formula: C24H30ClN3O2S MolecularWeight: 460.0319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H30ClN3O2S/c1-31-17-12-22(26-23(29)20-10-5-6-11-21(20)25)24(30)28-14-7-13-27(15-16-28)18-19-8-3-2-4-9-19/h2-6,8-11,22H,7,12-18H2,1H3,(H,26,29)