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

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dioxo-3-phenethyl-pyrimidin-4-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(2,6-dioxo-3-phenethyl-4-pyrimidinyl)-2-[(5-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(2,6-dioxo-3-phenethylpyrimidin-4-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2,6-diketo-3-phenethyl-pyrimidin-4-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C21H17N5O5S2 MolecularWeight: 483.52018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5S2/c27-18-11-17(25(20(29)24-18)9-8-13-4-2-1-3-5-13)23-19(28)12-32-21-22-15-10-14(26(30)31)6-7-16(15)33-21/h1-7,10-11H,8-9,12H2,(H,23,28)(H,24,27,29)