(2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-propan-2-yl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-propan-2-yl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-N-isopropyl-pyrrolidine-2-carboxamide CAS Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-N-propan-2-yl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-N-propan-2-yl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-4-(1H-benzimidazol-2-ylthio)-1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-N-isopropyl-pyrrolidine-2-carboxamide Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1CC2=CCC(CC2)C(=C)C)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@@H](CN1CC2=CC[C@H](CC2)C(=C)C)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H34N4OS/c1-16(2)19-11-9-18(10-12-19)14-29-15-20(13-23(29)24(30)26-17(3)4)31-25-27-21-7-5-6-8-22(21)28-25/h5-9,17,19-20,23H,1,10-15H2,2-4H3,(H,26,30)(H,27,28)/t19-,20+,23+/m1/s1