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

Systemtic Name: N-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-methyl-thiazol-2-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[4-(2,5-dimethylphenyl)-5-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-methyl-thiazol-2-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S2/c1-12-5-6-13(2)17(11-12)18-14(3)28-21(22-18)24-20(27)23-19(25)15-7-9-16(26-4)10-8-15/h5-11H,1-4H3,(H2,22,23,24,25,27)