3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-thioxo-1H-quinazolin-4-one Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C20H18N2O3S/c23-18-14-6-2-3-7-15(14)21-19(26)22(18)13-8-9-16-17(12-13)25-20(24-16)10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,26)