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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C19H17N3O3S/c23-17(9-7-14-6-8-15-16(10-14)25-12-24-15)20-19-22-21-18(26-19)11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,20,22,23)