2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-[(4-nitrophenyl)amino]ethyl]benzamide

Systemtic Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-[(4-nitrophenyl)amino]ethyl]benzamide Openeye Name: 2-[(3-methylisoxazol-5-yl)methylsulfanyl]-N-[2-(4-nitroanilino)ethyl]benzamide CAS Name: 2-[(3-methyl-5-isoxazolyl)methylthio]-N-[2-(4-nitroanilino)ethyl]benzamide IUPAC Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(4-nitroanilino)ethyl]benzamide Traditional Name: 2-[(3-methylisoxazol-5-yl)methylthio]-N-[2-(4-nitroanilino)ethyl]benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-14-12-17(28-23-14)13-29-19-5-3-2-4-18(19)20(25)22-11-10-21-15-6-8-16(9-7-15)24(26)27/h2-9,12,21H,10-11,13H2,1H3,(H,22,25)