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

Systemtic Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-piperidin-1-ylcarbonyl-pyrrolidine-1-carbothioamide Openeye Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidine-1-carbothioamide CAS Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-[oxo(1-piperidinyl)methyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidine-1-carbothioamide Traditional Name: N-cyclopropyl-3-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidine-1-carbothioamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CN(CC2C(=O)N3CCCCC3)C(=S)NC4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CN(CC2C(=O)N3CCCCC3)C(=S)NC4CC4

InChI

InChI=1S/C22H31N3O3S/c1-27-16-8-9-20(28-2)17(12-16)18-13-25(22(29)23-15-6-7-15)14-19(18)21(26)24-10-4-3-5-11-24/h8-9,12,15,18-19H,3-7,10-11,13-14H2,1-2H3,(H,23,29)