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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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