N-[[1-(2,6-dimethylphenyl)-3-(phenylcarbonyl)-2-sulfanylidene-imidazol-4-yl]carbamothioyl]benzamide

Systemtic Name: N-[[1-(2,6-dimethylphenyl)-3-(phenylcarbonyl)-2-sulfanylidene-imidazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-thioxo-imidazol-4-yl]carbamothioyl]benzamide CAS Name: N-[[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylidene-4-imidazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol-4-yl]carbamothioyl]benzamide Traditional Name: N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-thioxo-4-imidazolin-4-yl]thiocarbamoyl]benzamide Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C=C(N(C2=S)C(=O)C3=CC=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C=C(N(C2=S)C(=O)C3=CC=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S2/c1-17-10-9-11-18(2)22(17)29-16-21(27-25(33)28-23(31)19-12-5-3-6-13-19)30(26(29)34)24(32)20-14-7-4-8-15-20/h3-16H,1-2H3,(H2,27,28,31,33)