2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-cyclopentyl-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-cyclopentylquinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-cyclopentyl-quinazolin-4-one Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N2O4S/c25-18(14-9-10-19-20(11-14)28-13-27-19)12-29-22-23-17-8-4-3-7-16(17)21(26)24(22)15-5-1-2-6-15/h3-4,7-11,15H,1-2,5-6,12-13H2