N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[oxo-[2-(3-pyridinyl)-4-thiazolyl]methyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-homoveratryl-2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbothioamide Formula: C23H25N5O3S2 MolecularWeight: 483.6063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=CSC(=N3)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=CSC(=N3)C4=CN=CC=C4)OC

InChI

InChI=1S/C23H25N5O3S2/c1-30-19-7-6-16(13-20(19)31-2)8-10-25-23(32)28-12-4-11-27(28)22(29)18-15-33-21(26-18)17-5-3-9-24-14-17/h3,5-7,9,13-15H,4,8,10-12H2,1-2H3,(H,25,32)