N-cyclooctyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-cyclooctyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-cyclooctyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-cyclooctyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-cyclooctyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-cyclooctyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCCCC3)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCCCC3)NC1=S

InChI

InChI=1S/C20H25N3O2S/c1-2-12-23-19(25)16-11-10-14(13-17(16)22-20(23)26)18(24)21-15-8-6-4-3-5-7-9-15/h2,10-11,13,15H,1,3-9,12H2,(H,21,24)(H,22,26)