(2S)-4-(4-isothiocyanatophenyl)-1,2-dimethyl-piperazine

Systemtic Name: (2S)-4-(4-isothiocyanatophenyl)-1,2-dimethyl-piperazine Openeye Name: (2S)-4-(4-isothiocyanatophenyl)-1,2-dimethyl-piperazine CAS Name: (2S)-4-(4-isothiocyanatophenyl)-1,2-dimethylpiperazine IUPAC Name: (2S)-4-(4-isothiocyanatophenyl)-1,2-dimethylpiperazine Traditional Name: (2S)-4-(4-isothiocyanatophenyl)-1,2-dimethyl-piperazine Formula: C13H17N3S MolecularWeight: 247.35918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3S/c1-11-9-16(8-7-15(11)2)13-5-3-12(4-6-13)14-10-17/h3-6,11H,7-9H2,1-2H3/t11-/m0/s1