2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4O3S/c1-12(18(24)21-14-7-8-16-17(9-14)26-11-25-16)27-19-22-15(10-23(19)20)13-5-3-2-4-6-13/h2-10,12H,11,20H2,1H3,(H,21,24)