2-[3-chloranyl-4-[1-(2-methoxyethyl)indol-5-yl]sulfanyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[3-chloranyl-4-[1-(2-methoxyethyl)indol-5-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-(2-methoxyethyl)indol-5-yl]sulfanyl-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[3-chloro-4-[[1-(2-methoxyethyl)-5-indolyl]thio]phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-[1-(2-methoxyethyl)indol-5-yl]sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[3-chloro-4-[[1-(2-methoxyethyl)indol-5-yl]thio]phenyl]prop-2-en-1-one Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)N(C=C4)CCOC)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)N(C=C4)CCOC)Cl

InChI

InChI=1S/C26H28ClN3O3S/c1-18(26(32)30-12-10-28(11-13-30)19(2)31)20-4-7-25(23(27)17-20)34-22-5-6-24-21(16-22)8-9-29(24)14-15-33-3/h4-9,16-17H,1,10-15H2,2-3H3