1-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea

Systemtic Name: 1-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]urea IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-phenylpiperazino)ethyl]urea Formula: C22H25N5O2 MolecularWeight: 391.4662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)N

InChI

InChI=1S/C22H25N5O2/c23-22(29)25-20(14-16-15-24-19-9-5-4-8-18(16)19)21(28)27-12-10-26(11-13-27)17-6-2-1-3-7-17/h1-9,15,20,24H,10-14H2,(H3,23,25,29)/t20-/m0/s1