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

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl 4-(phenylmethyl)piperazine-1-carbodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl 4-benzylpiperazine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperazinecarbodithioic acid (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl ester IUPAC Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl 4-benzylpiperazine-1-carbodithioate Traditional Name: 4-benzylpiperazine-1-carbodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS2/c1-16-23-20-8-7-18(13-19(20)21(27)24-16)15-29-22(28)26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,24,27)