N-cyclohexyl-5-(4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)pentanamide

Systemtic Name: N-cyclohexyl-5-(4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)pentanamide Openeye Name: N-cyclohexyl-5-(4-oxo-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)pentanamide CAS Name: N-cyclohexyl-5-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)pentanamide IUPAC Name: N-cyclohexyl-5-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)pentanamide Traditional Name: N-cyclohexyl-5-(4-keto-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)valeramide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCCCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

Isomeric SMILES

C1CCC(CC1)NC(=O)CCCCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

InChI

InChI=1S/C21H25N3O2S2/c25-17(22-14-8-2-1-3-9-14)12-6-7-13-24-20(26)19-18(23-21(24)27)15-10-4-5-11-16(15)28-19/h4-5,10-11,14H,1-3,6-9,12-13H2,(H,22,25)(H,23,27)