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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-piperonyl-propionamide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(S3)N

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(S3)N

InChI

InChI=1S/C13H14N4O3S2/c1-7(21-13-17-16-12(14)22-13)11(18)15-5-8-2-3-9-10(4-8)20-6-19-9/h2-4,7H,5-6H2,1H3,(H2,14,16)(H,15,18)