N-(4-dimethylaminophenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C22H26N4O3S/c1-15(20(28)23-16-9-11-17(12-10-16)25(2)3)30-22-24-19-8-5-4-7-18(19)21(29)26(22)13-6-14-27/h4-5,7-12,15,27H,6,13-14H2,1-3H3,(H,23,28)