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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C22H16ClN3O2S2 MolecularWeight: 453.96434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H16ClN3O2S2/c23-17-12-14(10-11-16(17)21-25-18-8-4-5-9-19(18)30-21)24-22(29)26-20(27)13-28-15-6-2-1-3-7-15/h1-12H,13H2,(H2,24,26,27,29)