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

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O2S2/c1-10-4-3-5-12(6-10)24-9-16(23)21-17(25)22-18-20-14-8-13(19)11(2)7-15(14)26-18/h3-8H,9H2,1-2H3,(H2,20,21,22,23,25)