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

Systemtic Name: 4-chloranyl-N-[1-[(4-ethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(4-ethylphenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(4-ethylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(4-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(4-ethylphenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4S/c1-3-13-4-7-15(8-5-13)22-20(26)17(10-11-29-2)23-19(25)14-6-9-16(21)18(12-14)24(27)28/h4-9,12,17H,3,10-11H2,1-2H3,(H,22,26)(H,23,25)