4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-(phenylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: 4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: N-benzyl-4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)pyrrolidine-3-carboxamide CAS Name: 4-(2,3-dimethoxyphenyl)-1-[ethylamino(sulfanylidene)methyl]-N-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: N-benzyl-4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: N-benzyl-4-(2,3-dimethoxyphenyl)-1-(ethylthiocarbamoyl)pyrrolidine-3-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC(C(C1)C(=O)NCC2=CC=CC=C2)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCNC(=S)N1CC(C(C1)C(=O)NCC2=CC=CC=C2)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C23H29N3O3S/c1-4-24-23(30)26-14-18(17-11-8-12-20(28-2)21(17)29-3)19(15-26)22(27)25-13-16-9-6-5-7-10-16/h5-12,18-19H,4,13-15H2,1-3H3,(H,24,30)(H,25,27)