N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide Openeye Name: 1-benzyl-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-pyridine-3-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-1-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: 1-benzyl-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 1-benzyl-6-keto-N-(6-nitro-1,3-benzothiazol-2-yl)nicotinamide Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S/c25-18-9-6-14(12-23(18)11-13-4-2-1-3-5-13)19(26)22-20-21-16-8-7-15(24(27)28)10-17(16)29-20/h1-10,12H,11H2,(H,21,22,26)