4-chloranyl-N-[1-(cyclohexylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-(cyclohexylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-(cyclohexylcarbamoyl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(cyclohexylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-(cyclohexylcarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C18H24ClN3O4S MolecularWeight: 413.91886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NC1CCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H24ClN3O4S/c1-27-10-9-15(18(24)20-13-5-3-2-4-6-13)21-17(23)12-7-8-14(19)16(11-12)22(25)26/h7-8,11,13,15H,2-6,9-10H2,1H3,(H,20,24)(H,21,23)