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

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C16H15N5O4S2 MolecularWeight: 405.4514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S2/c1-2-3-9-6-13(22)19-15(17-9)26-8-14(23)20-16-18-11-7-10(21(24)25)4-5-12(11)27-16/h4-7H,2-3,8H2,1H3,(H,17,19,22)(H,18,20,23)