1-[2-(diphenylmethyl)oxyethyl]-4-[2-(4-isothiocyanatophenyl)ethyl]piperazine

Systemtic Name: 1-[2-(diphenylmethyl)oxyethyl]-4-[2-(4-isothiocyanatophenyl)ethyl]piperazine Openeye Name: 1-(2-benzhydryloxyethyl)-4-[2-(4-isothiocyanatophenyl)ethyl]piperazine CAS Name: 1-[2-(diphenylmethyl)oxyethyl]-4-[2-(4-isothiocyanatophenyl)ethyl]piperazine IUPAC Name: 1-(2-benzhydryloxyethyl)-4-[2-(4-isothiocyanatophenyl)ethyl]piperazine Traditional Name: 1-(2-benzhydryloxyethyl)-4-[2-(4-isothiocyanatophenyl)ethyl]piperazine Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)N=C=S)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)N=C=S)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3OS/c33-23-29-27-13-11-24(12-14-27)15-16-30-17-19-31(20-18-30)21-22-32-28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,28H,15-22H2