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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]anilino]methyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]thiocarbamoyl]benzamide Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O2S/c1-5-30-21-11-8-17(13-20(21)24)22(29)26-23(31)25-18-9-6-16(7-10-18)12-19-14(2)27-28(4)15(19)3/h6-11,13H,5,12H2,1-4H3,(H2,25,26,29,31)