[4-(3-phenylpropyl)piperazin-1-yl]-[(3R,5S)-5-pyridin-3-ylthiomorpholin-3-yl]methanone

Systemtic Name: [4-(3-phenylpropyl)piperazin-1-yl]-[(3R,5S)-5-pyridin-3-ylthiomorpholin-3-yl]methanone Openeye Name: [4-(3-phenylpropyl)piperazin-1-yl]-[(3R,5S)-5-(3-pyridyl)thiomorpholin-3-yl]methanone CAS Name: [4-(3-phenylpropyl)-1-piperazinyl]-[(3R,5S)-5-(3-pyridinyl)-3-thiomorpholinyl]methanone IUPAC Name: [4-(3-phenylpropyl)piperazin-1-yl]-[(3R,5S)-5-pyridin-3-ylthiomorpholin-3-yl]methanone Traditional Name: [4-(3-phenylpropyl)piperazino]-[(3R,5S)-5-(3-pyridyl)thiomorpholin-3-yl]methanone Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3CSCC(N3)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)[C@@H]3CSC[C@@H](N3)C4=CN=CC=C4

InChI

InChI=1S/C23H30N4OS/c28-23(22-18-29-17-21(25-22)20-9-4-10-24-16-20)27-14-12-26(13-15-27)11-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-10,16,21-22,25H,5,8,11-15,17-18H2/t21-,22+/m1/s1