N-(2,6-diethylphenyl)-2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carboxamide Openeye Name: N-(2,6-diethylphenyl)-2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carboxamide CAS Name: N-(2,6-diethylphenyl)-2-[[(2,3-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(2,6-diethylphenyl)-2-[(2,3-dimethoxyphenyl)methylcarbamothioyl]pyrazolidine-1-carboxamide Traditional Name: N-(2,6-diethylphenyl)-2-(o-veratrylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C24H32N4O3S/c1-5-17-10-7-11-18(6-2)21(17)26-23(29)27-14-9-15-28(27)24(32)25-16-19-12-8-13-20(30-3)22(19)31-4/h7-8,10-13H,5-6,9,14-16H2,1-4H3,(H,25,32)(H,26,29)