1-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carbonyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carbonyl]amino]thiourea Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=C(N(N=C1C)CC2=CC=C(C=C2)C)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=C(N(N=C1C)CC2=CC=C(C=C2)C)C

InChI

InChI=1S/C20H29N5OS/c1-5-6-7-12-21-20(27)23-22-19(26)18-15(3)24-25(16(18)4)13-17-10-8-14(2)9-11-17/h8-11H,5-7,12-13H2,1-4H3,(H,22,26)(H2,21,23,27)