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

Systemtic Name: 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-3-[(2R)-2-methylheptyl]thiourea Openeye Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-[(2R)-2-methylheptyl]thiourea CAS Name: 1-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]-3-[(2R)-2-methylheptyl]thiourea IUPAC Name: 1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-3-[(2R)-2-methylheptyl]thiourea Traditional Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-[(2R)-2-methylheptyl]thiourea Formula: C22H33N5OS MolecularWeight: 415.59532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)CC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC[C@@H](C)CNC(=S)NNC(=O)CC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C22H33N5OS/c1-5-6-8-11-16(2)15-23-22(29)25-24-21(28)14-20-17(3)26-27(18(20)4)19-12-9-7-10-13-19/h7,9-10,12-13,16H,5-6,8,11,14-15H2,1-4H3,(H,24,28)(H2,23,25,29)/t16-/m1/s1