2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-phenyl-butanamide

Systemtic Name: 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-phenyl-butanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-butanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-phenylbutanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylbutanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-phenyl-butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-2-18(19(26)22-15-9-4-3-5-10-15)28-21-23-17-12-7-6-11-16(17)20(27)24(21)13-8-14-25/h3-7,9-12,18,25H,2,8,13-14H2,1H3,(H,22,26)