N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(isopropylcarbamothioyl)pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: 4-(2,4-dimethoxyphenyl)-1-(isopropylthiocarbamoyl)-N-piperonyl-pyrrolidine-3-carboxamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC(C)NC(=S)N1CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H31N3O5S/c1-15(2)27-25(34)28-12-19(18-7-6-17(30-3)10-22(18)31-4)20(13-28)24(29)26-11-16-5-8-21-23(9-16)33-14-32-21/h5-10,15,19-20H,11-14H2,1-4H3,(H,26,29)(H,27,34)