1-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-[[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NCC=C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NCC=C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N5OS/c1-4-12-23-22(29)25-24-21(28)19-14-27(18-8-6-5-7-9-18)26-20(19)17-11-10-15(2)16(3)13-17/h4-11,13-14H,1,12H2,2-3H3,(H,24,28)(H2,23,25,29)