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

Systemtic Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-12(19-21-15-8-3-4-9-16(15)28-19)22(2)17(24)11-20-18(25)13-6-5-7-14(10-13)23(26)27/h3-10,12H,11H2,1-2H3,(H,20,25)