N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]-4-chloro-3-nitro-benzamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O4S/c1-22(10-16-21-13-4-2-3-5-15(13)28-16)17(24)9-20-18(25)11-6-7-12(19)14(8-11)23(26)27/h2-8H,9-10H2,1H3,(H,20,25)