2-[3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoylamino]benzamide

Systemtic Name: 2-[3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoylamino]benzamide Openeye Name: 2-[3-(2-chloro-4-nitro-phenyl)sulfanylpropanoylamino]benzamide CAS Name: 2-[[3-[(2-chloro-4-nitrophenyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[3-(2-chloro-4-nitrophenyl)sulfanylpropanoylamino]benzamide Traditional Name: 2-[3-[(2-chloro-4-nitro-phenyl)thio]propanoylamino]benzamide Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N)NC(=O)CCSC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N)NC(=O)CCSC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClN3O4S/c17-12-9-10(20(23)24)5-6-14(12)25-8-7-15(21)19-13-4-2-1-3-11(13)16(18)22/h1-6,9H,7-8H2,(H2,18,22)(H,19,21)