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

Systemtic Name: 1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide Openeye Name: 1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)-N-isobutyl-pyrrolidine-3-carboxamide CAS Name: 1-[(cyclopropylamino)-sulfanylidenemethyl]-4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide Traditional Name: 1-(cyclopropylthiocarbamoyl)-4-(2,3-dimethoxyphenyl)-N-isobutyl-pyrrolidine-3-carboxamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CN(CC1C2=C(C(=CC=C2)OC)OC)C(=S)NC3CC3

Isomeric SMILES

CC(C)CNC(=O)C1CN(CC1C2=C(C(=CC=C2)OC)OC)C(=S)NC3CC3

InChI

InChI=1S/C21H31N3O3S/c1-13(2)10-22-20(25)17-12-24(21(28)23-14-8-9-14)11-16(17)15-6-5-7-18(26-3)19(15)27-4/h5-7,13-14,16-17H,8-12H2,1-4H3,(H,22,25)(H,23,28)