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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O2S/c1-27-17-6-4-5-16(15-17)24-11-13-25(14-12-24)21(26)10-9-20-22(23)18-7-2-3-8-19(18)28-20/h2-10,15H,11-14H2,1H3/b10-9+