N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H34N4O2S/c1-27(2,30-17-15-20-10-5-6-11-21(20)18-30)19-28-24(32)14-4-3-9-16-31-25(33)22-12-7-8-13-23(22)29-26(31)34/h5-8,10-13H,3-4,9,14-19H2,1-2H3,(H,28,32)(H,29,34)