1-(cyclopropylcarbamothioyl)-4-(2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: 1-(cyclopropylcarbamothioyl)-4-(2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-(cyclopropylcarbamothioyl)-4-(2,5-dimethoxyphenyl)-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: 1-[(cyclopropylamino)-sulfanylidenemethyl]-4-(2,5-dimethoxyphenyl)-N-(2-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(cyclopropylcarbamothioyl)-4-(2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: 1-(cyclopropylthiocarbamoyl)-4-(2,5-dimethoxyphenyl)-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CN(CC2C(=O)NCC3=CC=CC=N3)C(=S)NC4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CN(CC2C(=O)NCC3=CC=CC=N3)C(=S)NC4CC4

InChI

InChI=1S/C23H28N4O3S/c1-29-17-8-9-21(30-2)18(11-17)19-13-27(23(31)26-15-6-7-15)14-20(19)22(28)25-12-16-5-3-4-10-24-16/h3-5,8-11,15,19-20H,6-7,12-14H2,1-2H3,(H,25,28)(H,26,31)