4-(3-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C16H18BrN3O3S2 MolecularWeight: 444.36642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H18BrN3O3S2/c17-13-3-1-5-15(11-13)25(21,22)20-8-6-19(7-9-20)16(24)18-12-14-4-2-10-23-14/h1-5,10-11H,6-9,12H2,(H,18,24)