4-ethoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]anilino]methyl]benzamide IUPAC Name: 4-ethoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]thiocarbamoyl]benzamide Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(N(N=C3C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(N(N=C3C)C)C

InChI

InChI=1S/C23H26N4O2S/c1-5-29-20-12-8-18(9-13-20)22(28)25-23(30)24-19-10-6-17(7-11-19)14-21-15(2)26-27(4)16(21)3/h6-13H,5,14H2,1-4H3,(H2,24,25,28,30)