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

Systemtic Name: N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3S2/c21-25(22,14-15-5-2-1-3-6-15)20-10-8-19(9-11-20)17(24)18-13-16-7-4-12-23-16/h1-7,12H,8-11,13-14H2,(H,18,24)