N-butyl-4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: N-butyl-4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: N-butyl-4-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: N-butyl-4-[[2-(diethylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: N-butyl-4-[2-(diethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: N-butyl-4-[[2-(diethylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1)SCC(=O)N(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)SCC(=O)N(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4S/c1-4-7-10-18-17(22)13-8-9-15(14(11-13)20(23)24)25-12-16(21)19(5-2)6-3/h8-9,11H,4-7,10,12H2,1-3H3,(H,18,22)