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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]propionamide Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3S/c1-12(18(24)22-14-5-6-16-17(10-14)26-11-25-16)27-19-21-7-8-23(19)15-4-2-3-13(20)9-15/h2-10,12H,11H2,1H3,(H,22,24)