5-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(4-tert-butylbenzyl)-methyl-amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-22(2,3)16-7-5-15(6-8-16)13-27(4)14-19-25-26-21(29-19)20(28)24-18-11-9-17(23)10-12-18/h5-12H,13-14H2,1-4H3,(H,24,28)