2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-[(2-keto-2-morpholino-ethyl)thio]-1,3-benzothiazol-6-yl]acetamide Formula: C34H36N6O4S3 MolecularWeight: 688.88244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)N=C(S5)SCC(=O)N6CCOCC6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)N=C(S5)SCC(=O)N6CCOCC6

InChI

InChI=1S/C34H36N6O4S3/c1-34(2,3)23-9-12-26(13-10-23)44-20-29-37-38-32(40(29)25-7-5-4-6-8-25)45-21-30(41)35-24-11-14-27-28(19-24)47-33(36-27)46-22-31(42)39-15-17-43-18-16-39/h4-14,19H,15-18,20-22H2,1-3H3,(H,35,41)