N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(2-isopropyl-5-methyl-phenoxy)acetamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(2-isopropyl-5-methyl-phenoxy)acetamide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)Cl)C

InChI

InChI=1S/C21H22ClN3O2S2/c1-11(2)14-6-5-12(3)7-17(14)27-10-19(26)24-20(28)25-21-23-16-9-15(22)13(4)8-18(16)29-21/h5-9,11H,10H2,1-4H3,(H2,23,24,25,26,28)