N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[4-[(4-methylpiperidino)methyl]benzyl]hexanamide Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C28H36N4O2S/c1-21-14-17-31(18-15-21)20-23-12-10-22(11-13-23)19-29-26(33)9-3-2-6-16-32-27(34)24-7-4-5-8-25(24)30-28(32)35/h4-5,7-8,10-13,21H,2-3,6,9,14-20H2,1H3,(H,29,33)(H,30,35)