(phenylmethyl) N-[(2R)-3-(1H-imidazol-5-yl)-1-oxidanylidene-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-3-(1H-imidazol-5-yl)-1-oxidanylidene-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-1-(1H-imidazol-5-ylmethyl)-2-oxo-2-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazin-1-yl]ethyl]carbamate CAS Name: N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]-1-piperazinyl]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]carbamate Traditional Name: N-[(1R)-1-(1H-imidazol-5-ylmethyl)-2-keto-2-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazino]ethyl]carbamic acid benzyl ester Formula: C31H36N6O3S MolecularWeight: 572.72094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)C(CC4=CN=CN4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)[C@@H](CC4=CN=CN4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H36N6O3S/c38-30(28(19-26-21-33-23-34-26)35-31(39)40-22-24-7-2-1-3-8-24)37-16-14-36(15-17-37)29-11-5-4-9-25(29)20-32-13-12-27-10-6-18-41-27/h1-11,18,21,23,28,32H,12-17,19-20,22H2,(H,33,34)(H,35,39)/t28-/m1/s1