[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(4-bromophenyl)furan-2-yl]methanethione

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(4-bromophenyl)furan-2-yl]methanethione Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(4-bromophenyl)-2-furyl]methanethione CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[5-(4-bromophenyl)-2-furanyl]methanethione IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(4-bromophenyl)furan-2-yl]methanethione Traditional Name: [5-(4-bromophenyl)-2-furyl]-(4-piperonylpiperazino)methanethione Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)C4=CC=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H21BrN2O3S/c24-18-4-2-17(3-5-18)19-7-8-21(29-19)23(30)26-11-9-25(10-12-26)14-16-1-6-20-22(13-16)28-15-27-20/h1-8,13H,9-12,14-15H2