1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-[(2R)-2-methylheptyl]thiourea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-[(2R)-2-methylheptyl]thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-[(2R)-2-methylheptyl]thiourea CAS Name: 1-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-3-[(2R)-2-methylheptyl]thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-3-[(2R)-2-methylheptyl]thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-[(2R)-2-methylheptyl]thiourea Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC[C@@H](C)CNC(=S)NNC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C21H31N5OS/c1-5-6-8-11-15(2)14-22-21(28)24-23-20(27)19-16(3)25-26(17(19)4)18-12-9-7-10-13-18/h7,9-10,12-13,15H,5-6,8,11,14H2,1-4H3,(H,23,27)(H2,22,24,28)/t15-/m1/s1