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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-benzylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-benzylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-benzylpiperazine-1-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H26N4O4S/c33-26(31-12-10-30(11-13-31)16-19-4-2-1-3-5-19)21-7-8-22-23(15-21)29-28(37)32(27(22)34)17-20-6-9-24-25(14-20)36-18-35-24/h1-9,14-15H,10-13,16-18H2,(H,29,37)