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

Systemtic Name: 4-chloranyl-N-[1-[(3-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(3-methoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(3-methoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(3-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-(m-anisylcarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5S/c1-29-15-5-3-4-13(10-15)12-22-20(26)17(8-9-30-2)23-19(25)14-6-7-16(21)18(11-14)24(27)28/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,22,26)(H,23,25)