2-(4-tert-butylphenoxy)-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)C(C)(C)C

InChI

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