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

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N3O5S2/c1-26-14-9-8-12(10-17(14)29-4)13-11-31-21(22-13)24-20(30)23-19(25)18-15(27-2)6-5-7-16(18)28-3/h5-11H,1-4H3,(H2,22,23,24,25,30)