[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [(3S)-3-(3,4-dimethoxyanilino)-1-piperidyl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [(3S)-3-(3,4-dimethoxyanilino)-1-piperidinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [(3S)-3-(3,4-dimethoxyanilino)piperidino]-[2-(methylthio)-3-pyridyl]methanone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=C(N=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=C(N=CC=C3)SC)OC

InChI

InChI=1S/C20H25N3O3S/c1-25-17-9-8-14(12-18(17)26-2)22-15-6-5-11-23(13-15)20(24)16-7-4-10-21-19(16)27-3/h4,7-10,12,15,22H,5-6,11,13H2,1-3H3/t15-/m0/s1