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

Systemtic Name: 4-(2,3-dimethoxyphenyl)-N-(phenylmethyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Openeye Name: N-benzyl-4-(2,3-dimethoxyphenyl)-1-(isopropylcarbamothioyl)pyrrolidine-3-carboxamide CAS Name: 4-(2,3-dimethoxyphenyl)-N-(phenylmethyl)-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: N-benzyl-4-(2,3-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide Traditional Name: N-benzyl-4-(2,3-dimethoxyphenyl)-1-(isopropylthiocarbamoyl)pyrrolidine-3-carboxamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-16(2)26-24(31)27-14-19(18-11-8-12-21(29-3)22(18)30-4)20(15-27)23(28)25-13-17-9-6-5-7-10-17/h5-12,16,19-20H,13-15H2,1-4H3,(H,25,28)(H,26,31)