3-(7-methyloctyl)-2-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(7-methyloctyl)-2-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[[2-(4-methylanilino)thiazol-4-yl]methylsulfanyl]-3-(7-methyloctyl)quinazolin-4-one CAS Name: 2-[[2-(4-methylanilino)-4-thiazolyl]methylthio]-3-(7-methyloctyl)-4-quinazolinone IUPAC Name: 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-(7-methyloctyl)quinazolin-4-one Traditional Name: 3-(7-methyloctyl)-2-[[2-(p-toluidino)thiazol-4-yl]methylthio]quinazolin-4-one Formula: C28H34N4OS2 MolecularWeight: 506.72576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCCCCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCCCCCC(C)C

InChI

InChI=1S/C28H34N4OS2/c1-20(2)10-6-4-5-9-17-32-26(33)24-11-7-8-12-25(24)31-28(32)35-19-23-18-34-27(30-23)29-22-15-13-21(3)14-16-22/h7-8,11-16,18,20H,4-6,9-10,17,19H2,1-3H3,(H,29,30)