1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-[3-(4-methylpyrazol-1-yl)propanoylamino]-3-[1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-[[3-(4-methyl-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-[1-(2-methylbenzyl)pyrazol-4-yl]-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea Formula: C19H23N7OS MolecularWeight: 397.49722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NNC(=O)CCN3C=C(C=N3)C

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NNC(=O)CCN3C=C(C=N3)C

InChI

InChI=1S/C19H23N7OS/c1-14-9-20-25(11-14)8-7-18(27)23-24-19(28)22-17-10-21-26(13-17)12-16-6-4-3-5-15(16)2/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,27)(H2,22,24,28)