1-[[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-[[[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[3-(3-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-14(2)22-21(28)24-23-20(27)18-13-26(17-10-5-4-6-11-17)25-19(18)16-9-7-8-15(3)12-16/h4-14H,1-3H3,(H,23,27)(H2,22,24,28)