1-[(2S)-2-methylheptyl]-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

InChI

InChI=1S/C20H29N5OS/c1-4-5-6-7-15(2)14-21-20(27)24-23-19(26)17-8-10-18(11-9-17)25-16(3)12-13-22-25/h8-13,15H,4-7,14H2,1-3H3,(H,23,26)(H2,21,24,27)/t15-/m0/s1