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

Systemtic Name: [1-[(2R)-2-azanyl-3-sulfanyl-propyl]-2-methyl-piperazin-2-yl]-(2,3-dimethylphenyl)methanone Openeye Name: [1-[(2R)-2-amino-3-sulfanyl-propyl]-2-methyl-piperazin-2-yl]-(2,3-dimethylphenyl)methanone CAS Name: [1-[(2R)-2-amino-3-mercaptopropyl]-2-methyl-2-piperazinyl]-(2,3-dimethylphenyl)methanone IUPAC Name: [1-[(2R)-2-amino-3-sulfanylpropyl]-2-methylpiperazin-2-yl]-(2,3-dimethylphenyl)methanone Traditional Name: [1-[(2R)-2-amino-3-mercapto-propyl]-2-methyl-piperazin-2-yl]-(2,3-dimethylphenyl)methanone Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)C2(CNCCN2CC(CS)N)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)C2(CNCCN2C[C@H](CS)N)C

InChI

InChI=1S/C17H27N3OS/c1-12-5-4-6-15(13(12)2)16(21)17(3)11-19-7-8-20(17)9-14(18)10-22/h4-6,14,19,22H,7-11,18H2,1-3H3/t14-,17?/m1/s1