N-cycloheptyl-4-(4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

InChI

InChI=1S/C21H25N3O2S2/c25-17(22-14-8-3-1-2-4-9-14)12-7-13-24-20(26)19-18(23-21(24)27)15-10-5-6-11-16(15)28-19/h5-6,10-11,14H,1-4,7-9,12-13H2,(H,22,25)(H,23,27)