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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-p-anisyl-thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NNC(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NNC(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N5O2S/c1-14-19(15(2)26(25-14)17-7-5-4-6-8-17)20(27)23-24-21(29)22-13-16-9-11-18(28-3)12-10-16/h4-12H,13H2,1-3H3,(H,23,27)(H2,22,24,29)