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

Systemtic Name: 4-chloranyl-N-[1-(cycloheptylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-(cycloheptylcarbamoyl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(cycloheptylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(cycloheptylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-(cycloheptylcarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H26ClN3O4S MolecularWeight: 427.94544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NC1CCCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H26ClN3O4S/c1-28-11-10-16(19(25)21-14-6-4-2-3-5-7-14)22-18(24)13-8-9-15(20)17(12-13)23(26)27/h8-9,12,14,16H,2-7,10-11H2,1H3,(H,21,25)(H,22,24)