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

Systemtic Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]anilino]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]thiocarbamoyl]-1-naphthamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H24N4OS/c1-16-23(17(2)29(3)28-16)15-18-11-13-20(14-12-18)26-25(31)27-24(30)22-10-6-8-19-7-4-5-9-21(19)22/h4-14H,15H2,1-3H3,(H2,26,27,30,31)