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

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]thiourea Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5OS/c1-4-5-9-12-20-19(26)22-21-18(25)17-14(2)23-24(15(17)3)13-16-10-7-6-8-11-16/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,21,25)(H2,20,22,26)