N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N3O4S2/c1-13-5-4-6-15(9-13)28-11-19(25)23-20(29)24-21-22-16(12-30-21)14-7-8-17(26-2)18(10-14)27-3/h4-10,12H,11H2,1-3H3,(H2,22,23,24,25,29)