N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC(=CS3)CC(=O)N

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC(=CS3)CC(=O)N

InChI

InChI=1S/C18H21N5O4S/c1-11-4-6-22(7-5-11)15-3-2-13(23(26)27)9-14(15)17(25)21-18-20-12(10-28-18)8-16(19)24/h2-3,9-11H,4-8H2,1H3,(H2,19,24)(H,20,21,25)