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

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C20H29N5OS/c1-3-4-6-9-16(2)12-21-20(27)24-23-19(26)18-13-22-25(15-18)14-17-10-7-5-8-11-17/h5,7-8,10-11,13,15-16H,3-4,6,9,12,14H2,1-2H3,(H,23,26)(H2,21,24,27)/t16-/m0/s1