2-heptylsulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-heptylsulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-heptylsulfanyl-quinazolin-4-one CAS Name: 2-(heptylthio)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-heptylsulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-(heptylthio)quinazolin-4-one Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2OS/c1-2-3-4-5-11-16-26-22-23-20-15-10-9-14-19(20)21(25)24(22)17-18-12-7-6-8-13-18/h6-10,12-15H,2-5,11,16-17H2,1H3