4-methyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-isopentyl-4-methyl-N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-(3-methylbutyl)-N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-isoamyl-N-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-4-methyl-3-nitro-benzamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NC(=CS2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NC(=CS2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-12(2)7-8-22(10-17(24)21-19-20-14(4)11-28-19)18(25)15-6-5-13(3)16(9-15)23(26)27/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,20,21,24)