4-nitro-N-[3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylphenyl]benzamide

Systemtic Name: 4-nitro-N-[3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylphenyl]benzamide Openeye Name: N-[3-(2-anilino-1-methyl-2-oxo-ethyl)sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[(1-anilino-1-oxopropan-2-yl)thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[(2-anilino-2-keto-1-methyl-ethyl)thio]phenyl]-4-nitro-benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-15(21(26)23-17-6-3-2-4-7-17)30-20-9-5-8-18(14-20)24-22(27)16-10-12-19(13-11-16)25(28)29/h2-15H,1H3,(H,23,26)(H,24,27)