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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Traditional Name: 2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-N-piperonyl-propionamide Formula: C19H17N3O3S3 MolecularWeight: 431.55158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN(C(=S)S3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN(C(=S)S3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N3O3S3/c1-12(17(23)20-10-13-7-8-15-16(9-13)25-11-24-15)27-18-21-22(19(26)28-18)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,20,23)