3-(1,3-benzodioxol-5-ylmethyl)-7-(3-methylpiperidin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(3-methylpiperidin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(3-methylpiperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[(3-methyl-1-piperidinyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(3-methylpiperidine-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:

CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O4S/c1-14-3-2-8-25(11-14)21(27)16-5-6-17-18(10-16)24-23(31)26(22(17)28)12-15-4-7-19-20(9-15)30-13-29-19/h4-7,9-10,14H,2-3,8,11-13H2,1H3,(H,24,31)