(5S)-2-[(4-methoxyphenyl)methyl]-3,3,5-trimethyl-N-phenyl-pyrazolidine-1-carbothioamide

Systemtic Name: (5S)-2-[(4-methoxyphenyl)methyl]-3,3,5-trimethyl-N-phenyl-pyrazolidine-1-carbothioamide Openeye Name: (5S)-2-[(4-methoxyphenyl)methyl]-3,3,5-trimethyl-N-phenyl-pyrazolidine-1-carbothioamide CAS Name: (5S)-2-[(4-methoxyphenyl)methyl]-3,3,5-trimethyl-N-phenyl-1-pyrazolidinecarbothioamide IUPAC Name: (5S)-2-[(4-methoxyphenyl)methyl]-3,3,5-trimethyl-N-phenylpyrazolidine-1-carbothioamide Traditional Name: (5S)-3,3,5-trimethyl-2-p-anisyl-N-phenyl-pyrazolidine-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(N1C(=S)NC2=CC=CC=C2)CC3=CC=C(C=C3)OC)(C)C

Isomeric SMILES

C[C@H]1CC(N(N1C(=S)NC2=CC=CC=C2)CC3=CC=C(C=C3)OC)(C)C

InChI

InChI=1S/C21H27N3OS/c1-16-14-21(2,3)23(15-17-10-12-19(25-4)13-11-17)24(16)20(26)22-18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3,(H,22,26)/t16-/m0/s1