3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propionamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C23H23N3O4S/c27-20(10-13-26-21(28)16-6-2-3-7-17(16)25-22(26)31)24-15-8-9-18-19(14-15)30-23(29-18)11-4-1-5-12-23/h2-3,6-9,14H,1,4-5,10-13H2,(H,24,27)(H,25,31)