7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-3-methyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-3-methyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3-methyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-oxomethyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3-methyl-2-thioxo-1H-quinazolin-4-one Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5)NC1=S

InChI

InChI=1S/C22H21N3O4S/c1-24-21(27)15-6-4-14(11-16(15)23-22(24)30)20(26)25-8-2-3-17(25)13-5-7-18-19(12-13)29-10-9-28-18/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,23,30)