N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylimidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylimidazol-2-yl)sulfanyl-butanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylimidazol-2-yl)sulfanyl-butanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methyl-2-imidazolyl)thio]butanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methylimidazol-2-yl)thio]butyramide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CN3C

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CN3C

InChI

InChI=1S/C16H19N3O3S/c1-3-14(23-16-17-6-7-19(16)2)15(20)18-11-4-5-12-13(10-11)22-9-8-21-12/h4-7,10,14H,3,8-9H2,1-2H3,(H,18,20)