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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C(=CC=C2)SC3=C(C=C(C=C3)C(=C)C(=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/c1-4-27-11-10-19-6-5-7-23(24(19)27)32-22-9-8-20(16-21(22)26)17(2)25(31)29-14-12-28(13-15-29)18(3)30/h5-11,16H,2,4,12-15H2,1,3H3