[4-[(2R)-2-azanyl-3-sulfanyl-propyl]piperazin-1-yl]-(2,3-dimethylphenyl)methanone

Systemtic Name: [4-[(2R)-2-azanyl-3-sulfanyl-propyl]piperazin-1-yl]-(2,3-dimethylphenyl)methanone Openeye Name: [4-[(2R)-2-amino-3-sulfanyl-propyl]piperazin-1-yl]-(2,3-dimethylphenyl)methanone CAS Name: [4-[(2R)-2-amino-3-mercaptopropyl]-1-piperazinyl]-(2,3-dimethylphenyl)methanone IUPAC Name: [4-[(2R)-2-amino-3-sulfanylpropyl]piperazin-1-yl]-(2,3-dimethylphenyl)methanone Traditional Name: [4-[(2R)-2-amino-3-mercapto-propyl]piperazino]-(2,3-dimethylphenyl)methanone Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)N2CCN(CC2)CC(CS)N

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N2CCN(CC2)C[C@H](CS)N

InChI

InChI=1S/C16H25N3OS/c1-12-4-3-5-15(13(12)2)16(20)19-8-6-18(7-9-19)10-14(17)11-21/h3-5,14,21H,6-11,17H2,1-2H3/t14-/m1/s1