1-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]thiourea Formula: C18H24ClN5OS MolecularWeight: 393.93406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN5OS/c1-3-4-8-11-20-18(26)22-21-17(25)15-13(2)23-24(16(15)19)12-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,21,25)(H2,20,22,26)