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

Systemtic Name: N-(4-bromophenyl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-(2-furfuryl)piperazine-1-carbothioamide Formula: C16H18BrN3OS MolecularWeight: 380.30262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H18BrN3OS/c17-13-3-5-14(6-4-13)18-16(22)20-9-7-19(8-10-20)12-15-2-1-11-21-15/h1-6,11H,7-10,12H2,(H,18,22)