N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-nitro-4-phenylazanyl-benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-nitro-4-phenylazanyl-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-anilino-3-nitro-benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-anilino-3-nitrobenzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-anilino-3-nitrobenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-anilino-3-nitro-benzamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3SCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3SCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c22-20(26)13-30-19-9-5-4-8-17(19)24-21(27)14-10-11-16(18(12-14)25(28)29)23-15-6-2-1-3-7-15/h1-12,23H,13H2,(H2,22,26)(H,24,27)