[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-(phenoxymethyl)thiophen-2-yl]methanone

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-(phenoxymethyl)thiophen-2-yl]methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-(phenoxymethyl)-2-thienyl]methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-[4-(phenoxymethyl)-2-thiophenyl]methanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-(phenoxymethyl)thiophen-2-yl]methanone Traditional Name: [4-(3-bromobenzyl)piperazino]-[4-(phenoxymethyl)-2-thienyl]methanone Formula: C23H23BrN2O2S MolecularWeight: 471.40992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3=CC(=CS3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3=CC(=CS3)COC4=CC=CC=C4

InChI

InChI=1S/C23H23BrN2O2S/c24-20-6-4-5-18(13-20)15-25-9-11-26(12-10-25)23(27)22-14-19(17-29-22)16-28-21-7-2-1-3-8-21/h1-8,13-14,17H,9-12,15-16H2