N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[5-[(4-tert-butylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O3S2/c1-22(2,3)16-9-6-14(7-10-16)13-29-21-25-24-20(30-21)23-19(26)15-8-11-17(27-4)18(12-15)28-5/h6-12H,13H2,1-5H3,(H,23,24,26)