N-[(3-isothiocyanatophenyl)methyl]piperidin-2-amine

Systemtic Name: N-[(3-isothiocyanatophenyl)methyl]piperidin-2-amine Openeye Name: N-[(3-isothiocyanatophenyl)methyl]piperidin-2-amine CAS Name: N-[(3-isothiocyanatophenyl)methyl]-2-piperidinamine IUPAC Name: N-[(3-isothiocyanatophenyl)methyl]piperidin-2-amine Traditional Name: (3-isothiocyanatobenzyl)-(2-piperidyl)amine Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)NCC2=CC(=CC=C2)N=C=S

Isomeric SMILES

C1CCNC(C1)NCC2=CC(=CC=C2)N=C=S

InChI

InChI=1S/C13H17N3S/c17-10-16-12-5-3-4-11(8-12)9-15-13-6-1-2-7-14-13/h3-5,8,13-15H,1-2,6-7,9H2