2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-N-naphthalen-1-yl-pyrazolidine-1-carboxamide

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-N-naphthalen-1-yl-pyrazolidine-1-carboxamide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-N-(1-naphthyl)pyrazolidine-1-carboxamide CAS Name: 2-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-N-(1-naphthalenyl)-1-pyrazolidinecarboxamide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-N-naphthalen-1-ylpyrazolidine-1-carboxamide Traditional Name: 2-(homoveratrylthiocarbamoyl)-N-(1-naphthyl)pyrazolidine-1-carboxamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)NC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)NC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C25H28N4O3S/c1-31-22-12-11-18(17-23(22)32-2)13-14-26-25(33)29-16-6-15-28(29)24(30)27-21-10-5-8-19-7-3-4-9-20(19)21/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,26,33)(H,27,30)