N-[3-[(4-aminocarbonylphenyl)amino]-3-oxidanylidene-propyl]-N-ethyl-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[3-[(4-aminocarbonylphenyl)amino]-3-oxidanylidene-propyl]-N-ethyl-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[3-(4-carbamoylanilino)-3-oxo-propyl]-N-ethyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[3-(4-carbamoylanilino)-3-keto-propyl]-N-ethyl-4-(methylthio)-3-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-3-23(20(27)14-6-9-17(30-2)16(12-14)24(28)29)11-10-18(25)22-15-7-4-13(5-8-15)19(21)26/h4-9,12H,3,10-11H2,1-2H3,(H2,21,26)(H,22,25)