2-[3-(4-methylpiperazin-1-yl)propoxymethylamino]-5-phenylsulfanyl-1H-indole-3-carbonitrile

Systemtic Name: 2-[3-(4-methylpiperazin-1-yl)propoxymethylamino]-5-phenylsulfanyl-1H-indole-3-carbonitrile Openeye Name: 2-[3-(4-methylpiperazin-1-yl)propoxymethylamino]-5-phenylsulfanyl-1H-indole-3-carbonitrile CAS Name: 2-[3-(4-methyl-1-piperazinyl)propoxymethylamino]-5-(phenylthio)-1H-indole-3-carbonitrile IUPAC Name: 2-[3-(4-methylpiperazin-1-yl)propoxymethylamino]-5-phenylsulfanyl-1H-indole-3-carbonitrile Traditional Name: 2-[3-(4-methylpiperazino)propoxymethylamino]-5-(phenylthio)-1H-indole-3-carbonitrile Formula: C24H29N5OS MolecularWeight: 435.58496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOCNC2=C(C3=C(N2)C=CC(=C3)SC4=CC=CC=C4)C#N

Isomeric SMILES

CN1CCN(CC1)CCCOCNC2=C(C3=C(N2)C=CC(=C3)SC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H29N5OS/c1-28-11-13-29(14-12-28)10-5-15-30-18-26-24-22(17-25)21-16-20(8-9-23(21)27-24)31-19-6-3-2-4-7-19/h2-4,6-9,16,26-27H,5,10-15,18H2,1H3