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

Systemtic Name: [4-oxidanylidene-2-(phenylmethyl)-1H-quinazolin-6-yl]methyl 4-phenylpiperazine-1-carbodithioate Openeye Name: (2-benzyl-4-oxo-1H-quinazolin-6-yl)methyl 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-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-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid (2-benzyl-4-keto-1H-quinazolin-6-yl)methyl ester Formula: C27H26N4OS2 MolecularWeight: 486.65154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=CC4=C(C=C3)NC(=NC4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=CC4=C(C=C3)NC(=NC4=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4OS2/c32-26-23-17-21(11-12-24(23)28-25(29-26)18-20-7-3-1-4-8-20)19-34-27(33)31-15-13-30(14-16-31)22-9-5-2-6-10-22/h1-12,17H,13-16,18-19H2,(H,28,29,32)