2-[(4-methylsulfanylphenyl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one

Systemtic Name: 2-[(4-methylsulfanylphenyl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 3-(3-isopropoxypropyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[[4-(methylthio)phenyl]methylthio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 2-[(4-methylsulfanylphenyl)methylsulfanyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 3-(3-isopropoxypropyl)-2-[[4-(methylthio)benzyl]thio]quinazolin-4-one Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N2O2S2/c1-16(2)26-14-6-13-24-21(25)19-7-4-5-8-20(19)23-22(24)28-15-17-9-11-18(27-3)12-10-17/h4-5,7-12,16H,6,13-15H2,1-3H3