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

Systemtic Name: N-[3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-4-yl]-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-isobutyl-2,6-dioxo-pyrimidin-4-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-(2-methylpropyl)-2,6-dioxo-4-pyrimidinyl]-2-[(5-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-isobutyl-2,6-diketo-pyrimidin-4-yl)-2-[(5-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H17N5O5S2 MolecularWeight: 435.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC(=O)NC1=O)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=CC(=O)NC1=O)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5S2/c1-9(2)7-21-13(6-14(23)20-16(21)25)19-15(24)8-28-17-18-11-5-10(22(26)27)3-4-12(11)29-17/h3-6,9H,7-8H2,1-2H3,(H,19,24)(H,20,23,25)