1-[(2S)-2-methylheptyl]-3-[(1-phenylpyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[(1-phenylpyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5OS/c1-3-4-6-9-15(2)12-20-19(26)23-22-18(25)16-13-21-24(14-16)17-10-7-5-8-11-17/h5,7-8,10-11,13-15H,3-4,6,9,12H2,1-2H3,(H,22,25)(H2,20,23,26)/t15-/m0/s1