N-(furan-2-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3)C)C

InChI

InChI=1S/C20H27N3O3S2/c1-14-12-15(2)17(4)19(16(14)3)28(24,25)23-9-7-22(8-10-23)20(27)21-13-18-6-5-11-26-18/h5-6,11-12H,7-10,13H2,1-4H3,(H,21,27)