N-[2-(butan-2-ylcarbamoyl)phenyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-[2-(sec-butylcarbamoyl)phenyl]benzamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: 4-(methylthio)-3-nitro-N-[2-(sec-butylcarbamoyl)phenyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-4-12(2)20-19(24)14-7-5-6-8-15(14)21-18(23)13-9-10-17(27-3)16(11-13)22(25)26/h5-12H,4H2,1-3H3,(H,20,24)(H,21,23)