N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C20H20ClN3O2S2 MolecularWeight: 433.9747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S2/c1-11(2)10-26-14-6-4-13(5-7-14)18(25)23-19(27)24-20-22-16-9-15(21)12(3)8-17(16)28-20/h4-9,11H,10H2,1-3H3,(H2,22,23,24,25,27)