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

Systemtic Name: (4-oxidanylidene-2-propan-2-yl-1H-quinazolin-6-yl)methyl 4-phenylpiperazine-1-carbodithioate Openeye Name: (2-isopropyl-4-oxo-1H-quinazolin-6-yl)methyl 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-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-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid (2-isopropyl-4-keto-1H-quinazolin-6-yl)methyl ester Formula: C23H26N4OS2 MolecularWeight: 438.60874

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4OS2/c1-16(2)21-24-20-9-8-17(14-19(20)22(28)25-21)15-30-23(29)27-12-10-26(11-13-27)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25,28)