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

Systemtic Name: N-(4-methylcyclohexyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanamide Openeye Name: N-(4-methylcyclohexyl)-3-(4-oxo-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)propanamide CAS Name: N-(4-methylcyclohexyl)-3-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanamide IUPAC Name: N-(4-methylcyclohexyl)-3-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)propionamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

Isomeric SMILES

CC1CCC(CC1)NC(=O)CCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

InChI

InChI=1S/C20H23N3O2S2/c1-12-6-8-13(9-7-12)21-16(24)10-11-23-19(25)18-17(22-20(23)26)14-4-2-3-5-15(14)27-18/h2-5,12-13H,6-11H2,1H3,(H,21,24)(H,22,26)