N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Traditional Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-piperonyl-propionamide Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NN=C(S1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N3O3S2/c1-8(21-14-17-16-9(2)22-14)13(18)15-6-10-3-4-11-12(5-10)20-7-19-11/h3-5,8H,6-7H2,1-2H3,(H,15,18)