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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]propionamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C4=CC(=CC=C4)OC

InChI

InChI=1S/C20H19N3O4S/c1-13(19(24)22-14-6-7-17-18(10-14)27-12-26-17)28-20-21-8-9-23(20)15-4-3-5-16(11-15)25-2/h3-11,13H,12H2,1-2H3,(H,22,24)