N-(3,5-dimethylphenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-2-phenyl-acetamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CCCO)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CCCO)C

InChI

InChI=1S/C27H27N3O3S/c1-18-15-19(2)17-21(16-18)28-25(32)24(20-9-4-3-5-10-20)34-27-29-23-12-7-6-11-22(23)26(33)30(27)13-8-14-31/h3-7,9-12,15-17,24,31H,8,13-14H2,1-2H3,(H,28,32)