N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(1-methylimidazol-2-yl)thio]propionamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CN3C

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CN3C

InChI

InChI=1S/C16H18N4O4S/c1-10(25-16-17-5-6-20(16)2)14(21)19-15(22)18-11-3-4-12-13(9-11)24-8-7-23-12/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,21,22)