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

Systemtic Name: 4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-N-propyl-benzamide Openeye Name: 4-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-N-propyl-benzamide CAS Name: 4-[[2-(diethylamino)-2-oxoethyl]thio]-3-nitro-N-propylbenzamide IUPAC Name: 4-[2-(diethylamino)-2-oxoethyl]sulfanyl-3-nitro-N-propylbenzamide Traditional Name: 4-[[2-(diethylamino)-2-keto-ethyl]thio]-3-nitro-N-propyl-benzamide Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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