1,5-dimethyl-N-[2-[(2-methylphenyl)carbamothioylamino]ethyl]pyrazole-3-carboxamide

Systemtic Name: 1,5-dimethyl-N-[2-[(2-methylphenyl)carbamothioylamino]ethyl]pyrazole-3-carboxamide Openeye Name: 1,5-dimethyl-N-[2-(o-tolylcarbamothioylamino)ethyl]pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-[2-[[(2-methylanilino)-sulfanylidenemethyl]amino]ethyl]-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-[2-[(2-methylphenyl)carbamothioylamino]ethyl]pyrazole-3-carboxamide Traditional Name: 1,5-dimethyl-N-[2-(o-tolylthiocarbamoylamino)ethyl]pyrazole-3-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCCNC(=O)C2=NN(C(=C2)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCCNC(=O)C2=NN(C(=C2)C)C

InChI

InChI=1S/C16H21N5OS/c1-11-6-4-5-7-13(11)19-16(23)18-9-8-17-15(22)14-10-12(2)21(3)20-14/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H2,18,19,23)