N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O3S/c1-20(2,3)14-7-4-12(5-8-14)17(24)21-19-23-22-18(27-19)13-6-9-15-16(10-13)26-11-25-15/h4-10H,11H2,1-3H3,(H,21,23,24)