N-[4-[[(3,5-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[4-[[(3,5-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-[[(3,5-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide CAS Name: N-[4-[[[(3,5-dimethylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[[(3,5-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[4-[[(3,5-dimethylphenyl)thiocarbamoylamino]carbamoyl]phenyl]nicotinamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C22H21N5O2S/c1-14-10-15(2)12-19(11-14)25-22(30)27-26-21(29)16-5-7-18(8-6-16)24-20(28)17-4-3-9-23-13-17/h3-13H,1-2H3,(H,24,28)(H,26,29)(H2,25,27,30)