N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-isopentyl-N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-(3-methylbutyl)-N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-isoamyl-N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]-3-nitro-benzamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(S1)NC(=O)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-12(2)7-8-21(11-16(23)20-18-19-10-13(3)27-18)17(24)14-5-4-6-15(9-14)22(25)26/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,19,20,23)