N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-pyrrolidin-1-ylcarbonyl-pyrrolidine-1-carbothioamide

Systemtic Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-pyrrolidin-1-ylcarbonyl-pyrrolidine-1-carbothioamide Openeye Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioamide CAS Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioamide Traditional Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CN(CC2C(=O)N3CCCC3)C(=S)NC4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CN(CC2C(=O)N3CCCC3)C(=S)NC4CC4

InChI

InChI=1S/C21H29N3O3S/c1-26-15-7-8-19(27-2)16(11-15)17-12-24(21(28)22-14-5-6-14)13-18(17)20(25)23-9-3-4-10-23/h7-8,11,14,17-18H,3-6,9-10,12-13H2,1-2H3,(H,22,28)