ethyl 2-[4-[(diphenylmethyl)carbamothioyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(diphenylmethyl)carbamothioyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(benzhydrylcarbamothioyl)piperazin-1-yl]acetate CAS Name: 2-[4-[[(diphenylmethyl)amino]-sulfanylidenemethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzhydrylcarbamothioyl)piperazin-1-yl]acetate Traditional Name: 2-[4-(benzhydrylthiocarbamoyl)piperazino]acetic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-27-20(26)17-24-13-15-25(16-14-24)22(28)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,21H,2,13-17H2,1H3,(H,23,28)