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

Systemtic Name: (4-oxidanylidene-2-propan-2-yl-1H-quinazolin-6-yl)methyl 4-(phenylmethyl)piperazine-1-carbodithioate Openeye Name: (2-isopropyl-4-oxo-1H-quinazolin-6-yl)methyl 4-benzylpiperazine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperazinecarbodithioic acid (4-oxo-2-propan-2-yl-1H-quinazolin-6-yl)methyl ester IUPAC Name: (4-oxo-2-propan-2-yl-1H-quinazolin-6-yl)methyl 4-benzylpiperazine-1-carbodithioate Traditional Name: 4-benzylpiperazine-1-carbodithioic acid (2-isopropyl-4-keto-1H-quinazolin-6-yl)methyl ester Formula: C24H28N4OS2 MolecularWeight: 452.63532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS2/c1-17(2)22-25-21-9-8-19(14-20(21)23(29)26-22)16-31-24(30)28-12-10-27(11-13-28)15-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,25,26,29)