(4-methylsulfanylphenyl)-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[1-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]-3-piperidyl]methanone CAS Name: [4-(methylthio)phenyl]-[1-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-3-piperidinyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[1-[(2-pyrrolidinothiazol-5-yl)methyl]-3-piperidyl]methanone Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=CN=C(S3)N4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=CN=C(S3)N4CCCC4

InChI

InChI=1S/C21H27N3OS2/c1-26-18-8-6-16(7-9-18)20(25)17-5-4-10-23(14-17)15-19-13-22-21(27-19)24-11-2-3-12-24/h6-9,13,17H,2-5,10-12,14-15H2,1H3