N-[(E)-1-(1,3-benzothiazol-2-ylsulfanyl)propan-2-ylideneamino]-2-(2-methyl-5-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[(E)-1-(1,3-benzothiazol-2-ylsulfanyl)propan-2-ylideneamino]-2-(2-methyl-5-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)-1-methyl-ethylidene]amino]-2-(5-isopropyl-2-methyl-phenoxy)acetamide CAS Name: N-[(E)-1-(1,3-benzothiazol-2-ylthio)propan-2-ylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(E)-1-(1,3-benzothiazol-2-ylsulfanyl)propan-2-ylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide Traditional Name: N-[(E)-[2-(1,3-benzothiazol-2-ylthio)-1-methyl-ethylidene]amino]-2-(5-isopropyl-2-methyl-phenoxy)acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NN=C(C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OCC(=O)N/N=C(\C)/CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O2S2/c1-14(2)17-10-9-15(3)19(11-17)27-12-21(26)25-24-16(4)13-28-22-23-18-7-5-6-8-20(18)29-22/h5-11,14H,12-13H2,1-4H3,(H,25,26)/b24-16+