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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)OC)C

InChI

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