N-[2,6-bis(oxidanylidene)-3-phenyl-pyrimidin-4-yl]-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-phenyl-pyrimidin-4-yl]-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dioxo-3-phenyl-pyrimidin-4-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(2,6-dioxo-3-phenyl-4-pyrimidinyl)-2-[(5-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(2,6-dioxo-3-phenylpyrimidin-4-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2,6-diketo-3-phenyl-pyrimidin-4-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C19H13N5O5S2 MolecularWeight: 455.46702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O5S2/c25-16-9-15(23(18(27)22-16)11-4-2-1-3-5-11)21-17(26)10-30-19-20-13-8-12(24(28)29)6-7-14(13)31-19/h1-9H,10H2,(H,21,26)(H,22,25,27)