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

Systemtic Name: 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: N-(4-benzoxyphenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C27H27N3O4S/c1-19(35-27-29-24-11-6-5-10-23(24)26(33)30(27)16-7-17-31)25(32)28-21-12-14-22(15-13-21)34-18-20-8-3-2-4-9-20/h2-6,8-15,19,31H,7,16-18H2,1H3,(H,28,32)