N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-phenoxy-acetamide Formula: C16H11Cl2N3O2S2 MolecularWeight: 412.31344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

InChI

InChI=1S/C16H11Cl2N3O2S2/c17-10-6-7-11-14(13(10)18)20-16(25-11)21-15(24)19-12(22)8-23-9-4-2-1-3-5-9/h1-7H,8H2,(H2,19,20,21,22,24)