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

Systemtic Name: 7-(azepan-1-ylcarbonyl)-3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(azepane-1-carbonyl)-3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[1-azepanyl(oxo)methyl]-3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(azepane-1-carbonyl)-3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(azepane-1-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O4S/c27-21(25-9-3-1-2-4-10-25)16-6-7-17-18(12-16)24-23(31)26(22(17)28)13-15-5-8-19-20(11-15)30-14-29-19/h5-8,11-12H,1-4,9-10,13-14H2,(H,24,31)