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

Systemtic Name: 4-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(cyclooctylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(cyclooctylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c18-17(22)12-8-9-15(14(10-12)20(23)24)25-11-16(21)19-13-6-4-2-1-3-5-7-13/h8-10,13H,1-7,11H2,(H2,18,22)(H,19,21)