2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S/c1-13(19(25)22-15-7-8-17-18(11-15)27-10-9-26-17)28-20-23-16(12-24(20)21)14-5-3-2-4-6-14/h2-8,11-13H,9-10,21H2,1H3,(H,22,25)