N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4S/c1-5-18-16(21)12(4)19-17(22)13-6-7-15(14(10-13)20(23)24)25-9-8-11(2)3/h6-7,10-12H,5,8-9H2,1-4H3,(H,18,21)(H,19,22)/t12-/m0/s1