N-(3-cyanophenyl)-2-[1-(4-methoxyphenyl)cyclopropyl]carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-2-[1-(4-methoxyphenyl)cyclopropyl]carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidine-1-carbothioamide CAS Name: N-(3-cyanophenyl)-2-[[1-(4-methoxyphenyl)cyclopropyl]-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(3-cyanophenyl)-2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidine-1-carbothioamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCCN3C(=S)NC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCCN3C(=S)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H22N4O2S/c1-28-19-8-6-17(7-9-19)22(10-11-22)20(27)25-12-3-13-26(25)21(29)24-18-5-2-4-16(14-18)15-23/h2,4-9,14H,3,10-13H2,1H3,(H,24,29)