tert-butyl 2-[4-[4-(4-carbamothioylphenyl)piperazin-1-yl]piperidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(4-carbamothioylphenyl)piperazin-1-yl]piperidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[4-(4-carbamothioylphenyl)piperazin-1-yl]-1-piperidyl]acetate CAS Name: 2-[4-[4-(4-carbamothioylphenyl)-1-piperazinyl]-1-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(4-carbamothioylphenyl)piperazin-1-yl]piperidin-1-yl]acetate Traditional Name: 2-[4-[4-(4-thiocarbamoylphenyl)piperazino]piperidino]acetic acid tert-butyl ester Formula: C22H34N4O2S MolecularWeight: 418.59596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C22H34N4O2S/c1-22(2,3)28-20(27)16-24-10-8-19(9-11-24)26-14-12-25(13-15-26)18-6-4-17(5-7-18)21(23)29/h4-7,19H,8-16H2,1-3H3,(H2,23,29)