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

Systemtic Name: N-[5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-[[2-(benzylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C22H26N4O2S2/c27-18(23-12-14-4-2-1-3-5-14)13-29-21-26-25-20(30-21)24-19(28)22-9-15-6-16(10-22)8-17(7-15)11-22/h1-5,15-17H,6-13H2,(H,23,27)(H,24,25,28)