N-[3-[1-[(2-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1-[(2-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[1-[(2-chlorophenyl)carbamoyl]propylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(2-chloroanilino)-1-oxobutan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(2-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[1-[(2-chlorophenyl)carbamoyl]propylthio]phenyl]-4-nitro-benzamide Formula: C23H20ClN3O4S MolecularWeight: 469.9406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN3O4S/c1-2-21(23(29)26-20-9-4-3-8-19(20)24)32-18-7-5-6-16(14-18)25-22(28)15-10-12-17(13-11-15)27(30)31/h3-14,21H,2H2,1H3,(H,25,28)(H,26,29)