N-[2-(ethylamino)-2-oxidanylidene-ethyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[2-(ethylamino)-2-oxidanylidene-ethyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[2-(ethylamino)-2-oxo-ethyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(ethylamino)-2-oxoethyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[2-(ethylamino)-2-oxoethyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[2-(ethylamino)-2-keto-ethyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)CNC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4S/c1-4-17-15(20)10-18-16(21)12-5-6-14(13(9-12)19(22)23)24-8-7-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,17,20)(H,18,21)