1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(2R,5S)-5-methyl-2-propan-2-yl-cyclohexylidene]amino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(2R,5S)-5-methyl-2-propan-2-yl-cyclohexylidene]amino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[[(2R,5S)-2-isopropyl-5-methyl-cyclohexylidene]amino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]thiourea Traditional Name: 1-[[(2R,5S)-2-isopropyl-5-methyl-cyclohexylidene]amino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=NNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C1)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H](C(=NNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C1)C(C)C

InChI

InChI=1S/C22H31N5OS/c1-14(2)18-12-11-15(3)13-19(18)24-25-22(29)23-20-16(4)26(5)27(21(20)28)17-9-7-6-8-10-17/h6-10,14-15,18H,11-13H2,1-5H3,(H2,23,25,29)/t15-,18+/m0/s1