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

Systemtic Name: 3-nitro-N-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylphenyl]benzamide Openeye Name: N-[4-(2-anilino-2-oxo-ethyl)sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[(2-anilino-2-oxoethyl)thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[(2-anilino-2-keto-ethyl)thio]phenyl]-3-nitro-benzamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c25-20(22-16-6-2-1-3-7-16)14-29-19-11-9-17(10-12-19)23-21(26)15-5-4-8-18(13-15)24(27)28/h1-13H,14H2,(H,22,25)(H,23,26)