(2S,4S)-N-ethyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-N-ethyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-N-ethyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(1-propyl-4-piperidyl)pyrrolidine-2-carboxamide CAS Name: (2S,4S)-N-ethyl-4-[[4-(methylthio)phenyl]methylamino]-1-(1-propyl-4-piperidinyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-N-ethyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-N-ethyl-4-[[4-(methylthio)benzyl]amino]-1-(1-propyl-4-piperidyl)pyrrolidine-2-carboxamide Formula: C23H38N4OS MolecularWeight: 418.63902

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)N2CC(CC2C(=O)NCC)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CCCN1CCC(CC1)N2C[C@H](C[C@H]2C(=O)NCC)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H38N4OS/c1-4-12-26-13-10-20(11-14-26)27-17-19(15-22(27)23(28)24-5-2)25-16-18-6-8-21(29-3)9-7-18/h6-9,19-20,22,25H,4-5,10-17H2,1-3H3,(H,24,28)/t19-,22-/m0/s1