3-[4-[3-(1,6-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)propyl]phenyl]-2-propylsulfanyl-propanamide

Systemtic Name: 3-[4-[3-(1,6-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)propyl]phenyl]-2-propylsulfanyl-propanamide Openeye Name: 3-[4-[3-(1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)propyl]phenyl]-2-propylsulfanyl-propanamide CAS Name: 3-[4-[3-(1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)propyl]phenyl]-2-(propylthio)propanamide IUPAC Name: 3-[4-[3-(1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)propyl]phenyl]-2-propylsulfanylpropanamide Traditional Name: 3-[4-[3-(4-keto-1,6-dimethyl-2H-quinazolin-3-yl)propyl]phenyl]-2-(propylthio)propionamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(CC1=CC=C(C=C1)CCCN2CN(C3=C(C2=O)C=C(C=C3)C)C)C(=O)N

Isomeric SMILES

CCCSC(CC1=CC=C(C=C1)CCCN2CN(C3=C(C2=O)C=C(C=C3)C)C)C(=O)N

InChI

InChI=1S/C25H33N3O2S/c1-4-14-31-23(24(26)29)16-20-10-8-19(9-11-20)6-5-13-28-17-27(3)22-12-7-18(2)15-21(22)25(28)30/h7-12,15,23H,4-6,13-14,16-17H2,1-3H3,(H2,26,29)