2-(2,5-dimethylphenyl)sulfanylethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanylethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate Openeye Name: 2-(2,5-dimethylphenyl)sulfanylethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]carbamic acid 2-[(2,5-dimethylphenyl)thio]ethyl ester IUPAC Name: 2-(2,5-dimethylphenyl)sulfanylethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate Traditional Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamic acid 2-[(2,5-dimethylphenyl)thio]ethyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5S/c1-17-5-6-18(2)25(13-17)36-12-11-34-27(31)30-19-7-9-20(10-8-19)35-26-21-14-23(32-3)24(33-4)15-22(21)28-16-29-26/h5-10,13-16H,11-12H2,1-4H3,(H,30,31)