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

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-piperonylpiperazine-1-carbonyl)-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazolin-4-one Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)NC2=S

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)NC2=S

InChI

InChI=1S/C26H28N4O5S/c31-24(29-9-7-28(8-10-29)14-17-3-6-22-23(12-17)35-16-34-22)18-4-5-20-21(13-18)27-26(36)30(25(20)32)15-19-2-1-11-33-19/h3-6,12-13,19H,1-2,7-11,14-16H2,(H,27,36)