2-[[3-(3-methylbutyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[3-(3-methylbutyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[(3-isopentyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])SC4=C2CCCC4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])SC4=C2CCCC4

InChI

InChI=1S/C23H26N4O4S2/c1-14(2)11-12-26-22(29)20-15-7-3-6-10-18(15)33-21(20)25-23(26)32-13-19(28)24-16-8-4-5-9-17(16)27(30)31/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,24,28)