2-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6,7-dimethoxy-3-octyl-4-quinazolinimine IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dimethoxy-3-octylquinazolin-4-imine Traditional Name: [2-[(4-tert-butylbenzyl)thio]-6,7-dimethoxy-3-octyl-quinazolin-4-ylidene]amine Formula: C29H41N3O2S MolecularWeight: 495.71974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=CC=C(C=C3)C(C)(C)C)OC)OC

Isomeric SMILES

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=CC=C(C=C3)C(C)(C)C)OC)OC

InChI

InChI=1S/C29H41N3O2S/c1-7-8-9-10-11-12-17-32-27(30)23-18-25(33-5)26(34-6)19-24(23)31-28(32)35-20-21-13-15-22(16-14-21)29(2,3)4/h13-16,18-19,30H,7-12,17,20H2,1-6H3