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

Systemtic Name: (phenylmethyl) N-[(2R)-1-oxidanylidene-3-(1,3-thiazol-4-yl)-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-2-oxo-1-(thiazol-4-ylmethyl)-2-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazin-1-yl]ethyl]carbamate CAS Name: N-[(2R)-1-oxo-3-(4-thiazolyl)-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]-1-piperazinyl]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-1-oxo-3-(1,3-thiazol-4-yl)-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]carbamate Traditional Name: N-[(1R)-2-keto-1-(thiazol-4-ylmethyl)-2-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazino]ethyl]carbamic acid benzyl ester Formula: C31H35N5O3S2 MolecularWeight: 589.7713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)C(CC4=CSC=N4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)[C@@H](CC4=CSC=N4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H35N5O3S2/c37-30(28(19-26-22-40-23-33-26)34-31(38)39-21-24-7-2-1-3-8-24)36-16-14-35(15-17-36)29-11-5-4-9-25(29)20-32-13-12-27-10-6-18-41-27/h1-11,18,22-23,28,32H,12-17,19-21H2,(H,34,38)/t28-/m1/s1