7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-(2-methoxyethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-methoxyethyl)-7-(4-piperonylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C24H27N4O5S+ MolecularWeight: 483.55998

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)NC1=S

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)NC1=S

InChI

InChI=1S/C24H26N4O5S/c1-31-11-10-28-23(30)18-4-3-17(13-19(18)25-24(28)34)22(29)27-8-6-26(7-9-27)14-16-2-5-20-21(12-16)33-15-32-20/h2-5,12-13H,6-11,14-15H2,1H3,(H,25,34)/p+1