4-(1H-indol-3-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-[2-(phenylthio)ethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-[2-(phenylthio)ethyl]piperazino]butan-1-one Formula: C24H29N3OS MolecularWeight: 407.57156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H29N3OS/c28-24(12-6-7-20-19-25-23-11-5-4-10-22(20)23)27-15-13-26(14-16-27)17-18-29-21-8-2-1-3-9-21/h1-5,8-11,19,25H,6-7,12-18H2