N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3O2S2/c1-27-18-11-4-2-9-16(18)20(26)25-22(28)23-15-8-6-7-14(13-15)21-24-17-10-3-5-12-19(17)29-21/h2-13H,1H3,(H2,23,25,26,28)