3-(1,3-benzodioxol-5-ylmethyl)-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[oxo(1-pyrrolidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-piperonyl-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O4S/c25-19(23-7-1-2-8-23)14-4-5-15-16(10-14)22-21(29)24(20(15)26)11-13-3-6-17-18(9-13)28-12-27-17/h3-6,9-10H,1-2,7-8,11-12H2,(H,22,29)