1-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-(4-methylphenyl)thiourea Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-(p-tolyl)thiourea CAS Name: 1-[[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-(4-methylphenyl)thiourea Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-(p-tolyl)thiourea Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C(=CC(=N2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C(=CC(=N2)C)C

InChI

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