4-(3-methoxyphenyl)-1-(propan-2-ylcarbamothioyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: 4-(3-methoxyphenyl)-1-(propan-2-ylcarbamothioyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-(isopropylcarbamothioyl)-4-(3-methoxyphenyl)-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: 4-(3-methoxyphenyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-N-(2-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 4-(3-methoxyphenyl)-1-(propan-2-ylcarbamothioyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: 1-(isopropylthiocarbamoyl)-4-(3-methoxyphenyl)-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC(C(C1)C(=O)NCC2=CC=CC=N2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)NC(=S)N1CC(C(C1)C(=O)NCC2=CC=CC=N2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N4O2S/c1-15(2)25-22(29)26-13-19(16-7-6-9-18(11-16)28-3)20(14-26)21(27)24-12-17-8-4-5-10-23-17/h4-11,15,19-20H,12-14H2,1-3H3,(H,24,27)(H,25,29)