3-nitro-4-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(pentylamino)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(pentylamino)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(pentylamino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-(amylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c1-2-3-4-7-16-13(18)9-22-12-6-5-10(14(15)19)8-11(12)17(20)21/h5-6,8H,2-4,7,9H2,1H3,(H2,15,19)(H,16,18)