(4-cyclobutyl-1,4-diazepan-1-yl)-[(2R,4S)-4-(4-methylsulfanylphenoxy)pyrrolidin-2-yl]methanone

Systemtic Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R,4S)-4-(4-methylsulfanylphenoxy)pyrrolidin-2-yl]methanone Openeye Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R,4S)-4-(4-methylsulfanylphenoxy)pyrrolidin-2-yl]methanone CAS Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R,4S)-4-[4-(methylthio)phenoxy]-2-pyrrolidinyl]methanone IUPAC Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R,4S)-4-(4-methylsulfanylphenoxy)pyrrolidin-2-yl]methanone Traditional Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[(2R,4S)-4-[4-(methylthio)phenoxy]pyrrolidin-2-yl]methanone Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2CC(NC2)C(=O)N3CCCN(CC3)C4CCC4

Isomeric SMILES

CSC1=CC=C(C=C1)O[C@H]2C[C@@H](NC2)C(=O)N3CCCN(CC3)C4CCC4

InChI

InChI=1S/C21H31N3O2S/c1-27-19-8-6-17(7-9-19)26-18-14-20(22-15-18)21(25)24-11-3-10-23(12-13-24)16-4-2-5-16/h6-9,16,18,20,22H,2-5,10-15H2,1H3/t18-,20+/m0/s1