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

Systemtic Name: 4-(4-ethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-ethylphenyl)sulfonyl-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-ethylphenyl)sulfonyl-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-ethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-ethylphenyl)sulfonyl-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H23N3O3S2/c1-2-15-5-7-17(8-6-15)26(22,23)21-11-9-20(10-12-21)18(25)19-14-16-4-3-13-24-16/h3-8,13H,2,9-12,14H2,1H3,(H,19,25)