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

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C19H23N5O4S2 MolecularWeight: 449.54702

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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(=C(S3)SCC(=O)N)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC(=C(S3)SCC(=O)N)C

InChI

InChI=1S/C19H23N5O4S2/c1-11-5-7-23(8-6-11)15-4-3-13(24(27)28)9-14(15)17(26)22-19-21-12(2)18(30-19)29-10-16(20)25/h3-4,9,11H,5-8,10H2,1-2H3,(H2,20,25)(H,21,22,26)