3-(phenylmethyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(phenylmethyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-benzyl-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-benzyl-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-benzyl-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O2S/c31-24(29-15-13-28(14-16-29)21-9-5-2-6-10-21)20-11-12-22-23(17-20)27-26(33)30(25(22)32)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,27,33)