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

Systemtic Name: N-[5-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[[2-(3-methoxyanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-[[2-keto-2-(m-anisidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N4O3S2/c1-29-17-4-2-3-16(8-17)23-18(27)12-30-21-26-25-20(31-21)24-19(28)22-9-13-5-14(10-22)7-15(6-13)11-22/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,23,27)(H,24,25,28)