(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl 3,4-dihydro-1H-isoquinoline-2-carbodithioate

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl 3,4-dihydro-1H-isoquinoline-2-carbodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl 3,4-dihydro-1H-isoquinoline-2-carbodithioate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl ester IUPAC Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl 3,4-dihydro-1H-isoquinoline-2-carbodithioate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H19N3OS2/c1-13-21-18-7-6-14(10-17(18)19(24)22-13)12-26-20(25)23-9-8-15-4-2-3-5-16(15)11-23/h2-7,10H,8-9,11-12H2,1H3,(H,21,22,24)