[4-(4-methylcyclohexyl)sulfanylphenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: [4-(4-methylcyclohexyl)sulfanylphenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: [4-(4-methylcyclohexyl)sulfanylphenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: [4-[(4-methylcyclohexyl)thio]phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: [4-(4-methylcyclohexyl)sulfanylphenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: [4-[(4-methylcyclohexyl)thio]phenyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone Formula: C23H34N2OS MolecularWeight: 386.59386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)SC2=CC=C(C=C2)C(=O)N3CCCC3CN4CCCC4

Isomeric SMILES

CC1CCC(CC1)SC2=CC=C(C=C2)C(=O)N3CCC[C@H]3CN4CCCC4

InChI

InChI=1S/C23H34N2OS/c1-18-6-10-21(11-7-18)27-22-12-8-19(9-13-22)23(26)25-16-4-5-20(25)17-24-14-2-3-15-24/h8-9,12-13,18,20-21H,2-7,10-11,14-17H2,1H3/t18?,20-,21?/m0/s1