3-(4-chloranyl-2-methyl-phenyl)sulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate

Systemtic Name: 3-(4-chloranyl-2-methyl-phenyl)sulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate Openeye Name: 3-(4-chloro-2-methyl-phenyl)sulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]carbamic acid 3-[(4-chloro-2-methylphenyl)thio]propyl ester IUPAC Name: 3-(4-chloro-2-methylphenyl)sulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate Traditional Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamic acid 3-[(4-chloro-2-methyl-phenyl)thio]propyl ester Formula: C27H26ClN3O5S MolecularWeight: 540.03044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)SCCCOC(=O)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)SCCCOC(=O)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C27H26ClN3O5S/c1-17-13-18(28)5-10-25(17)37-12-4-11-35-27(32)31-19-6-8-20(9-7-19)36-26-21-14-23(33-2)24(34-3)15-22(21)29-16-30-26/h5-10,13-16H,4,11-12H2,1-3H3,(H,31,32)