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

Systemtic Name: N-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[4-(2,4-dimethylphenyl)thiazol-2-yl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[[4-(2,4-dimethylphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[4-(2,4-dimethylphenyl)thiazol-2-yl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC)C

InChI

InChI=1S/C21H21N3O3S2/c1-12-5-6-17(13(2)7-12)18-11-29-21(22-18)24-20(28)23-19(25)14-8-15(26-3)10-16(9-14)27-4/h5-11H,1-4H3,(H2,22,23,24,25,28)