N-(benzo[e][1,3]benzothiazol-2-ylcarbamothioyl)-3,5-dimethoxy-benzamide

Systemtic Name: N-(benzo[e][1,3]benzothiazol-2-ylcarbamothioyl)-3,5-dimethoxy-benzamide Openeye Name: N-(benzo[e][1,3]benzothiazol-2-ylcarbamothioyl)-3,5-dimethoxy-benzamide CAS Name: N-[(2-benzo[e][1,3]benzothiazolylamino)-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-(benzo[e][1,3]benzothiazol-2-ylcarbamothioyl)-3,5-dimethoxybenzamide Traditional Name: N-(benzo[e][1,3]benzothiazol-2-ylthiocarbamoyl)-3,5-dimethoxy-benzamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC4=CC=CC=C43)OC

InChI

InChI=1S/C21H17N3O3S2/c1-26-14-9-13(10-15(11-14)27-2)19(25)23-20(28)24-21-22-18-16-6-4-3-5-12(16)7-8-17(18)29-21/h3-11H,1-2H3,(H2,22,23,24,25,28)