1-[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[(3S)-3-(3,4-dimethoxyanilino)-1-piperidyl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[(3S)-3-(3,4-dimethoxyanilino)-1-piperidinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[(3S)-3-(3,4-dimethoxyanilino)piperidino]-3-(methylthio)propan-1-one Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CCSC)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3S/c1-21-15-7-6-13(11-16(15)22-2)18-14-5-4-9-19(12-14)17(20)8-10-23-3/h6-7,11,14,18H,4-5,8-10,12H2,1-3H3/t14-/m0/s1