N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C23H18ClN3O2S2 MolecularWeight: 467.99092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN3O2S2/c1-29-19-11-8-15(22-25-17-4-2-3-5-20(17)31-22)13-18(19)26-23(30)27-21(28)12-14-6-9-16(24)10-7-14/h2-11,13H,12H2,1H3,(H2,26,27,28,30)