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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-phenylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-phenylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[(1-phenyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-phenylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(1-phenylimidazol-2-yl)thio]propionamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4S/c1-14(30-21-22-9-10-25(21)16-5-3-2-4-6-16)19(26)24-20(27)23-15-7-8-17-18(13-15)29-12-11-28-17/h2-10,13-14H,11-12H2,1H3,(H2,23,24,26,27)