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

Systemtic Name: [(3S)-4-[(2R)-2-azanyl-3-sulfanyl-propyl]-3-methyl-piperazin-1-yl]-(2,3-dimethylphenyl)methanone Openeye Name: [(3S)-4-[(2R)-2-amino-3-sulfanyl-propyl]-3-methyl-piperazin-1-yl]-(2,3-dimethylphenyl)methanone CAS Name: [(3S)-4-[(2R)-2-amino-3-mercaptopropyl]-3-methyl-1-piperazinyl]-(2,3-dimethylphenyl)methanone IUPAC Name: [(3S)-4-[(2R)-2-amino-3-sulfanylpropyl]-3-methylpiperazin-1-yl]-(2,3-dimethylphenyl)methanone Traditional Name: [(3S)-4-[(2R)-2-amino-3-mercapto-propyl]-3-methyl-piperazino]-(2,3-dimethylphenyl)methanone Formula: C17H27N3OS MolecularWeight: 321.48078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(CS)N)C(=O)C2=C(C(=CC=C2)C)C

Isomeric SMILES

C[C@H]1CN(CCN1C[C@H](CS)N)C(=O)C2=C(C(=CC=C2)C)C

InChI

InChI=1S/C17H27N3OS/c1-12-5-4-6-16(14(12)3)17(21)20-8-7-19(13(2)9-20)10-15(18)11-22/h4-6,13,15,22H,7-11,18H2,1-3H3/t13-,15+/m0/s1