N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propanamide Traditional Name: 2-[(5-phenyl-1H-imidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S/c1-13(27-20-22-11-16(23-20)15-5-3-2-4-6-15)19(24)21-10-14-7-8-17-18(9-14)26-12-25-17/h2-9,11,13H,10,12H2,1H3,(H,21,24)(H,22,23)