N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-butyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C27H34N6O2S2 MolecularWeight: 538.72786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N6O2S2/c1-2-3-8-33-22(15-28-24(35)27-12-17-9-18(13-27)11-19(10-17)14-27)31-32-26(33)36-16-23(34)30-25-29-20-6-4-5-7-21(20)37-25/h4-7,17-19H,2-3,8-16H2,1H3,(H,28,35)(H,29,30,34)