N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H19N3O3S2/c1-28-17-7-5-8-18(29-2)20(17)21(27)26-23(30)24-15-12-10-14(11-13-15)22-25-16-6-3-4-9-19(16)31-22/h3-13H,1-2H3,(H2,24,26,27,30)