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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O2S2/c26-20(14-27-17-6-2-1-3-7-17)25-22(28)23-16-12-10-15(11-13-16)21-24-18-8-4-5-9-19(18)29-21/h1-13H,14H2,(H2,23,25,26,28)