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

Systemtic Name: 2-[[3-(3-methylbutyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(3-isopentyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-isopropyl-acetamide Formula: C20H29N3O2S2 MolecularWeight: 407.59316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC(C)C)SC3=C2CCCC3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC(C)C)SC3=C2CCCC3

InChI

InChI=1S/C20H29N3O2S2/c1-12(2)9-10-23-19(25)17-14-7-5-6-8-15(14)27-18(17)22-20(23)26-11-16(24)21-13(3)4/h12-13H,5-11H2,1-4H3,(H,21,24)