N-[(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[(5-acetyl-4-phenyl-thiazol-2-yl)carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[(5-acetyl-4-phenyl-2-thiazolyl)amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[(5-acetyl-4-phenyl-thiazol-2-yl)thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4S2/c1-12(25)18-17(13-7-5-4-6-8-13)22-21(30-18)24-20(29)23-19(26)14-9-15(27-2)11-16(10-14)28-3/h4-11H,1-3H3,(H2,22,23,24,26,29)