2-[(3-butyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(3-butyl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]-N-phenethyl-acetamide Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S2/c1-2-3-15-27-23(29)22-21(18-11-7-8-12-19(18)31-22)26-24(27)30-16-20(28)25-14-13-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,25,28)