N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-(4-quinazolinylthio)propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(quinazolin-4-ylthio)propionamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H18N4O4S/c1-12(29-19-14-4-2-3-5-15(14)21-11-22-19)18(25)24-20(26)23-13-6-7-16-17(10-13)28-9-8-27-16/h2-7,10-12H,8-9H2,1H3,(H2,23,24,25,26)