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

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[2-(methylthio)phenyl]propionamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H23N3O3S2/c1-14(19(26)22-17-10-5-6-11-18(17)28-2)29-21-23-16-9-4-3-8-15(16)20(27)24(21)12-7-13-25/h3-6,8-11,14,25H,7,12-13H2,1-2H3,(H,22,26)