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

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-quinazolin-2-yl]thio]-N-(4-dimethylaminophenyl)acetamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4S/c1-30(2)19-13-11-18(12-14-19)28-25(32)17-36-27-29-22-8-4-3-7-21(22)26(33)31(27)15-20-16-34-23-9-5-6-10-24(23)35-20/h3-14,20H,15-17H2,1-2H3,(H,28,32)