4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide

Systemtic Name: 4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Openeye Name: 4-(2,3-dimethoxyphenyl)-N-isobutyl-1-(isopropylcarbamothioyl)pyrrolidine-3-carboxamide CAS Name: 4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: 4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: 4-(2,3-dimethoxyphenyl)-N-isobutyl-1-(isopropylthiocarbamoyl)pyrrolidine-3-carboxamide Formula: C21H33N3O3S MolecularWeight: 407.57002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CN(CC1C2=C(C(=CC=C2)OC)OC)C(=S)NC(C)C

Isomeric SMILES

CC(C)CNC(=O)C1CN(CC1C2=C(C(=CC=C2)OC)OC)C(=S)NC(C)C

InChI

InChI=1S/C21H33N3O3S/c1-13(2)10-22-20(25)17-12-24(21(28)23-14(3)4)11-16(17)15-8-7-9-18(26-5)19(15)27-6/h7-9,13-14,16-17H,10-12H2,1-6H3,(H,22,25)(H,23,28)