(phenylmethyl) N-[(2R)-3-(1H-indol-3-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-indol-3-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-indol-3-ylmethyl)-2-oxo-2-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazin-1-yl]ethyl]carbamate CAS Name: N-[(2R)-3-(1H-indol-3-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-indol-3-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-indol-3-ylmethyl)-2-keto-2-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazino]ethyl]carbamic acid benzyl ester Formula: C36H39N5O3S MolecularWeight: 621.79156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C36H39N5O3S/c42-35(41-20-18-40(19-21-41)34-15-7-4-11-28(34)24-37-17-16-30-12-8-22-45-30)33(23-29-25-38-32-14-6-5-13-31(29)32)39-36(43)44-26-27-9-2-1-3-10-27/h1-15,22,25,33,37-38H,16-21,23-24,26H2,(H,39,43)/t33-/m1/s1