4-butyl-N-[[5-(4-chlorophenyl)-2-(4-iodophenyl)pyrazol-3-yl]carbamothioyl]benzamide

Systemtic Name: 4-butyl-N-[[5-(4-chlorophenyl)-2-(4-iodophenyl)pyrazol-3-yl]carbamothioyl]benzamide Openeye Name: 4-butyl-N-[[5-(4-chlorophenyl)-2-(4-iodophenyl)pyrazol-3-yl]carbamothioyl]benzamide CAS Name: 4-butyl-N-[[[5-(4-chlorophenyl)-2-(4-iodophenyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butyl-N-[[5-(4-chlorophenyl)-2-(4-iodophenyl)pyrazol-3-yl]carbamothioyl]benzamide Traditional Name: 4-butyl-N-[[5-(4-chlorophenyl)-2-(4-iodophenyl)pyrazol-3-yl]thiocarbamoyl]benzamide Formula: C27H24ClIN4OS MolecularWeight: 614.92813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=NN2C3=CC=C(C=C3)I)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=NN2C3=CC=C(C=C3)I)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClIN4OS/c1-2-3-4-18-5-7-20(8-6-18)26(34)31-27(35)30-25-17-24(19-9-11-21(28)12-10-19)32-33(25)23-15-13-22(29)14-16-23/h5-17H,2-4H2,1H3,(H2,30,31,34,35)