N-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C21H23BrN4O2S2 MolecularWeight: 507.46692

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C21H23BrN4O2S2/c22-15-1-3-16(4-2-15)23-17(27)11-29-20-26-25-19(30-20)24-18(28)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14H,5-11H2,(H,23,27)(H,24,25,28)