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

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(3-ethoxypropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-ethoxypropyl)-7-(4-piperonylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC1=S

InChI

InChI=1S/C26H30N4O5S/c1-2-33-13-3-8-30-25(32)20-6-5-19(15-21(20)27-26(30)36)24(31)29-11-9-28(10-12-29)16-18-4-7-22-23(14-18)35-17-34-22/h4-7,14-15H,2-3,8-13,16-17H2,1H3,(H,27,36)