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

Systemtic Name: N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-tosyl-piperazine-1-carbothioamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H21N3O3S2/c1-14-4-6-16(7-5-14)25(21,22)20-10-8-19(9-11-20)17(24)18-13-15-3-2-12-23-15/h2-7,12H,8-11,13H2,1H3,(H,18,24)