4-[[(2,3-dimethylphenyl)carbamothioylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[[(2,3-dimethylphenyl)carbamothioylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[[(2,3-dimethylphenyl)carbamothioylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[[(2,3-dimethylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[[(2,3-dimethylphenyl)carbamothioylamino]carbamoyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[[(2,3-dimethylphenyl)thiocarbamoylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide Formula: C22H27N5O2S MolecularWeight: 425.54708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NNC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NNC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N5O2S/c1-15-7-6-10-19(16(15)2)24-21(30)26-25-20(28)17-11-13-27(14-12-17)22(29)23-18-8-4-3-5-9-18/h3-10,17H,11-14H2,1-2H3,(H,23,29)(H,25,28)(H2,24,26,30)