[4-oxidanylidene-2-(phenylmethyl)-1H-quinazolin-6-yl]methyl 4-(phenylmethyl)piperazine-1-carbodithioate

Systemtic Name: [4-oxidanylidene-2-(phenylmethyl)-1H-quinazolin-6-yl]methyl 4-(phenylmethyl)piperazine-1-carbodithioate Openeye Name: (2-benzyl-4-oxo-1H-quinazolin-6-yl)methyl 4-benzylpiperazine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperazinecarbodithioic acid [4-oxo-2-(phenylmethyl)-1H-quinazolin-6-yl]methyl ester IUPAC Name: (2-benzyl-4-oxo-1H-quinazolin-6-yl)methyl 4-benzylpiperazine-1-carbodithioate Traditional Name: 4-benzylpiperazine-1-carbodithioic acid (2-benzyl-4-keto-1H-quinazolin-6-yl)methyl ester Formula: C28H28N4OS2 MolecularWeight: 500.67812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)SCC3=CC4=C(C=C3)NC(=NC4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)SCC3=CC4=C(C=C3)NC(=NC4=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4OS2/c33-27-24-17-23(11-12-25(24)29-26(30-27)18-21-7-3-1-4-8-21)20-35-28(34)32-15-13-31(14-16-32)19-22-9-5-2-6-10-22/h1-12,17H,13-16,18-20H2,(H,29,30,33)