2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C21H18N6O4S2 MolecularWeight: 482.53542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=O)C=C(N3C4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=O)C=C(N3C4=CC=CC=C4)N

InChI

InChI=1S/C21H18N6O4S2/c1-2-15(19(29)25-20-23-14-9-8-13(27(30)31)10-16(14)32-20)33-21-24-18(28)11-17(22)26(21)12-6-4-3-5-7-12/h3-11,15H,2,22H2,1H3,(H,23,25,29)