(3S)-3,7-bis(azanyl)-1-piperidin-1-yl-1-sulfanylidene-heptan-2-one

Systemtic Name: (3S)-3,7-bis(azanyl)-1-piperidin-1-yl-1-sulfanylidene-heptan-2-one Openeye Name: (3S)-3,7-diamino-1-(1-piperidyl)-1-thioxo-heptan-2-one CAS Name: (3S)-3,7-diamino-1-(1-piperidinyl)-1-sulfanylidene-2-heptanone IUPAC Name: (3S)-3,7-diamino-1-piperidin-1-yl-1-sulfanylideneheptan-2-one Traditional Name: (3S)-3,7-diamino-1-piperidino-1-thioxo-heptan-2-one Formula: C12H23N3OS MolecularWeight: 257.39552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C(=O)C(CCCCN)N

Isomeric SMILES

C1CCN(CC1)C(=S)C(=O)[C@H](CCCCN)N

InChI

InChI=1S/C12H23N3OS/c13-7-3-2-6-10(14)11(16)12(17)15-8-4-1-5-9-15/h10H,1-9,13-14H2/t10-/m0/s1