2-[4-[3-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate

Systemtic Name: 2-[4-[3-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate Openeye Name: 2-[4-[3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate CAS Name: N-(2-ethoxyphenyl)carbamic acid 2-[4-[3-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]phenyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate Traditional Name: N-o-phenetylcarbamic acid 2-[4-[3-[[2-(2-pyrimidylthio)acetyl]amino]phenyl]piperazino]ethyl ester Formula: C27H32N6O4S MolecularWeight: 536.64578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)C3=CC(=CC=C3)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)C3=CC(=CC=C3)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C27H32N6O4S/c1-2-36-24-10-4-3-9-23(24)31-27(35)37-18-17-32-13-15-33(16-14-32)22-8-5-7-21(19-22)30-25(34)20-38-26-28-11-6-12-29-26/h3-12,19H,2,13-18,20H2,1H3,(H,30,34)(H,31,35)