4-(3,4-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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