2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-quinazolin-2-yl]thio]-N-(3,4-dimethylphenyl)acetamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4)C

InChI

InChI=1S/C27H25N3O4S/c1-17-11-12-19(13-18(17)2)28-25(31)16-35-27-29-22-8-4-3-7-21(22)26(32)30(27)14-20-15-33-23-9-5-6-10-24(23)34-20/h3-13,20H,14-16H2,1-2H3,(H,28,31)