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

Systemtic Name: N-(furan-2-ylmethyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-(4-isopropylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-p-cumenylsulfonyl-piperazine-1-carbothioamide Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S2/c1-15(2)16-5-7-18(8-6-16)27(23,24)22-11-9-21(10-12-22)19(26)20-14-17-4-3-13-25-17/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,26)