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

Systemtic Name: 2-[3-chloranyl-4-[3-(dimethylaminomethyl)-1-ethyl-indol-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-[3-(dimethylaminomethyl)-1-ethyl-indol-7-yl]sulfanyl-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[3-chloro-4-[[3-(dimethylaminomethyl)-1-ethyl-7-indolyl]thio]phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-[3-(dimethylaminomethyl)-1-ethylindol-7-yl]sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[3-chloro-4-[[3-(dimethylaminomethyl)-1-ethyl-indol-7-yl]thio]phenyl]prop-2-en-1-one Formula: C28H33ClN4O2S MolecularWeight: 525.10522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33ClN4O2S/c1-6-31-18-22(17-30(4)5)23-8-7-9-26(27(23)31)36-25-11-10-21(16-24(25)29)19(2)28(35)33-14-12-32(13-15-33)20(3)34/h7-11,16,18H,2,6,12-15,17H2,1,3-5H3