5-methyl-7-nitro-3-oxidanidyl-N-phenethyl-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: 5-methyl-7-nitro-3-oxidanidyl-N-phenethyl-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: 5-methyl-7-nitro-3-oxido-N-phenethyl-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: 5-methyl-7-nitro-3-oxido-N-phenethyl-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: 5-methyl-7-nitro-3-oxido-N-phenethyl-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: 5-methyl-7-nitro-3-oxido-N-phenethyl-1,3-benzothiazol-3-ium-2-carboxamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)[N+](=O)[O-])SC(=[N+]2[O-])C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=C1)[N+](=O)[O-])SC(=[N+]2[O-])C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S/c1-11-9-13-15(14(10-11)20(23)24)25-17(19(13)22)16(21)18-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,21)