N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-tert-butyl-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-tert-butyl-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H27N3O4S/c1-14(20(27)25-23(2,3)4)31-22-24-17-10-8-7-9-16(17)21(28)26(22)15-11-12-18(29-5)19(13-15)30-6/h7-14H,1-6H3,(H,25,27)