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

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c1-11(2)7-8-25-15-6-3-12(9-14(15)20(23)24)17(22)18-10-16(21)19-13-4-5-13/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3,(H,18,22)(H,19,21)