N-butyl-4-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butyl-4-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-4-methyl-N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-4-methyl-N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-4-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]-4-methyl-3-nitro-benzamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=NC=C(S1)C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)NC1=NC=C(S1)C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-4-5-8-21(11-16(23)20-18-19-10-13(3)27-18)17(24)14-7-6-12(2)15(9-14)22(25)26/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,19,20,23)