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

Systemtic Name: 2-chloranyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-isopentyl-N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-(3-methylbutyl)-N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-isoamyl-N-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-4-nitro-benzamide Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN(CCC(C)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN(CCC(C)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN4O4S/c1-11(2)6-7-22(9-16(24)21-18-20-12(3)10-28-18)17(25)14-5-4-13(23(26)27)8-15(14)19/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,20,21,24)