N-(2-chloranyl-4-methyl-phenyl)-2-(1-phenylcyclopropyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-(1-phenylcyclopropyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[oxo-(1-phenylcyclopropyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-15-8-9-18(17(22)14-15)23-20(27)25-13-5-12-24(25)19(26)21(10-11-21)16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,23,27)