(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-[4-(4-methoxyphenyl)piperazino]prop-2-en-1-one Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2O2S/c1-27-17-8-6-16(7-9-17)24-12-14-25(15-13-24)21(26)11-10-20-22(23)18-4-2-3-5-19(18)28-20/h2-11H,12-15H2,1H3/b11-10+