N-(furan-2-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-mesitylsulfonyl-piperazine-1-carbothioamide Formula: C19H25N3O3S2 MolecularWeight: 407.5501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S2/c1-14-11-15(2)18(16(3)12-14)27(23,24)22-8-6-21(7-9-22)19(26)20-13-17-5-4-10-25-17/h4-5,10-12H,6-9,13H2,1-3H3,(H,20,26)