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

Systemtic Name: N-tert-butyl-2-[[3-(3-methylbutyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[(3-isopentyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[(3-isoamyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2S2/c1-13(2)10-11-24-19(26)17-14-8-6-7-9-15(14)28-18(17)22-20(24)27-12-16(25)23-21(3,4)5/h13H,6-12H2,1-5H3,(H,23,25)