N-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide CAS Name: N-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide Traditional Name: N-[5-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide Formula: C21H21BrN4O2S2 MolecularWeight: 505.45104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O2S2/c1-21(2,3)14-6-4-13(5-7-14)18(28)24-19-25-26-20(30-19)29-12-17(27)23-16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,28)