1-[(2-chloranyl-5-isothiocyanato-phenyl)methyl]-4-methyl-piperazine

Systemtic Name: 1-[(2-chloranyl-5-isothiocyanato-phenyl)methyl]-4-methyl-piperazine Openeye Name: 1-[(2-chloro-5-isothiocyanato-phenyl)methyl]-4-methyl-piperazine CAS Name: 1-[(2-chloro-5-isothiocyanatophenyl)methyl]-4-methylpiperazine IUPAC Name: 1-[(2-chloro-5-isothiocyanatophenyl)methyl]-4-methylpiperazine Traditional Name: 1-(2-chloro-5-isothiocyanato-benzyl)-4-methyl-piperazine Formula: C13H16ClN3S MolecularWeight: 281.80424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC(=C2)N=C=S)Cl

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC(=C2)N=C=S)Cl

InChI

InChI=1S/C13H16ClN3S/c1-16-4-6-17(7-5-16)9-11-8-12(15-10-18)2-3-13(11)14/h2-3,8H,4-7,9H2,1H3