(E)-3-[3-chloranyl-4-(1-ethylindol-7-yl)sulfanyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-chloranyl-4-(1-ethylindol-7-yl)sulfanyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-chloro-4-(1-ethylindol-7-yl)sulfanyl-phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[3-chloro-4-[(1-ethyl-7-indolyl)thio]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-chloro-4-(1-ethylindol-7-yl)sulfanylphenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[3-chloro-4-[(1-ethylindol-7-yl)thio]phenyl]prop-2-en-1-one Formula: C25H26ClN3O2S MolecularWeight: 468.01084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C(=CC=C2)SC3=C(C=C(C=C3)C=CC(=O)N4CCN(CC4)C(=O)C)Cl

Isomeric SMILES

CCN1C=CC2=C1C(=CC=C2)SC3=C(C=C(C=C3)/C=C/C(=O)N4CCN(CC4)C(=O)C)Cl

InChI

InChI=1S/C25H26ClN3O2S/c1-3-27-12-11-20-5-4-6-23(25(20)27)32-22-9-7-19(17-21(22)26)8-10-24(31)29-15-13-28(14-16-29)18(2)30/h4-12,17H,3,13-16H2,1-2H3/b10-8+