3-(2,5-dimethylphenyl)sulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate Openeye Name: 3-(2,5-dimethylphenyl)sulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]carbamic acid 3-[(2,5-dimethylphenyl)thio]propyl ester IUPAC Name: 3-(2,5-dimethylphenyl)sulfanylpropyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate Traditional Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamic acid 3-[(2,5-dimethylphenyl)thio]propyl ester Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O5S/c1-18-6-7-19(2)26(14-18)37-13-5-12-35-28(32)31-20-8-10-21(11-9-20)36-27-22-15-24(33-3)25(34-4)16-23(22)29-17-30-27/h6-11,14-17H,5,12-13H2,1-4H3,(H,31,32)