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

Systemtic Name: 4-[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(1-methylhexylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(heptan-2-ylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(heptan-2-ylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(1-methylhexylamino)ethyl]thio]-3-nitro-benzamide Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-3-4-5-6-11(2)18-15(20)10-24-14-8-7-12(16(17)21)9-13(14)19(22)23/h7-9,11H,3-6,10H2,1-2H3,(H2,17,21)(H,18,20)