5-[[4-[(E)-3-phenylprop-1-enyl]piperazin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-[[4-[(E)-3-phenylprop-1-enyl]piperazin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-[[4-[(E)-3-phenylprop-1-enyl]piperazin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-[[4-[(E)-3-phenylprop-1-enyl]-1-piperazinyl]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-[[4-[(E)-3-phenylprop-1-enyl]piperazin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-[[4-[(E)-3-phenylprop-1-enyl]piperazino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C29H30N4OS MolecularWeight: 482.6397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N)C=CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N)/C=C/CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4OS/c30-29(34)27-28(35-24-11-5-2-6-12-24)25-20-23(13-14-26(25)31-27)21-33-18-16-32(17-19-33)15-7-10-22-8-3-1-4-9-22/h1-9,11-15,20,31H,10,16-19,21H2,(H2,30,34)/b15-7+