S-[4-oxidanylidene-4-[[1-oxidanylidene-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]butyl] carbamothioate

Systemtic Name: S-[4-oxidanylidene-4-[[1-oxidanylidene-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]butyl] carbamothioate Openeye Name: S-[4-[[1-[(4-benzyloxyphenyl)methyl]-2-oxo-2-[2-(1-piperidyl)ethylamino]ethyl]amino]-4-oxo-butyl] carbamothioate CAS Name: carbamothioic acid S-[4-oxo-4-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-[2-(1-piperidinyl)ethylamino]propan-2-yl]amino]butyl] ester IUPAC Name: S-[4-oxo-4-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]butyl] carbamothioate Traditional Name: thiocarbamic acid S-[4-[[1-(4-benzoxybenzyl)-2-keto-2-(2-piperidinoethylamino)ethyl]amino]-4-keto-butyl] ester Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)CCCSC(=O)N

Isomeric SMILES

C1CCN(CC1)CCNC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)CCCSC(=O)N

InChI

InChI=1S/C28H38N4O4S/c29-28(35)37-19-7-10-26(33)31-25(27(34)30-15-18-32-16-5-2-6-17-32)20-22-11-13-24(14-12-22)36-21-23-8-3-1-4-9-23/h1,3-4,8-9,11-14,25H,2,5-7,10,15-21H2,(H2,29,35)(H,30,34)(H,31,33)