thiophen-2-ylmethyl N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]carbamate

Systemtic Name: thiophen-2-ylmethyl N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]carbamate Openeye Name: 2-thienylmethyl N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]carbamic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]carbamate Traditional Name: N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]carbamic acid 2-thenyl ester Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNC(=O)OCC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNC(=O)OCC4=CC=CS4

InChI

InChI=1S/C22H23N5O3S/c28-20(26-10-12-27(13-11-26)21-23-8-2-9-24-21)18-6-4-17(5-7-18)15-25-22(29)30-16-19-3-1-14-31-19/h1-9,14H,10-13,15-16H2,(H,25,29)