N-(3-methylbutyl)-3-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

Systemtic Name: N-(3-methylbutyl)-3-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Openeye Name: N-isopentyl-3-nitro-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]benzamide CAS Name: N-(3-methylbutyl)-3-nitro-N-[2-oxo-2-(2-thiazolylamino)ethyl]benzamide IUPAC Name: N-(3-methylbutyl)-3-nitro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Traditional Name: N-isoamyl-N-[2-keto-2-(thiazol-2-ylamino)ethyl]-3-nitro-benzamide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-12(2)6-8-20(11-15(22)19-17-18-7-9-26-17)16(23)13-4-3-5-14(10-13)21(24)25/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,18,19,22)