N-(5-chloranyl-2-methoxy-phenyl)-2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[(2,3-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(o-veratrylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C21H25ClN4O4S MolecularWeight: 464.9656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H25ClN4O4S/c1-28-17-9-8-15(22)12-16(17)24-20(27)25-10-5-11-26(25)21(31)23-13-14-6-4-7-18(29-2)19(14)30-3/h4,6-9,12H,5,10-11,13H2,1-3H3,(H,23,31)(H,24,27)