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

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-chlorobenzyl)-7-(4-piperonylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C28H25ClN4O4S MolecularWeight: 549.0405

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)CC6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)CC6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H25ClN4O4S/c29-21-5-1-18(2-6-21)16-33-27(35)22-7-4-20(14-23(22)30-28(33)38)26(34)32-11-9-31(10-12-32)15-19-3-8-24-25(13-19)37-17-36-24/h1-8,13-14H,9-12,15-17H2,(H,30,38)