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

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-[2-(2-methylpropanoylamino)ethyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[2-(isobutyrylamino)ethyl]-3-nitro-benzamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-12(2)7-10-26-16-6-5-14(11-15(16)21(24)25)18(23)20-9-8-19-17(22)13(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,19,22)(H,20,23)