N-(3-bicyclo[2.2.1]heptanyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-bicyclo[2.2.1]heptanyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-ethoxyphenyl)sulfonyl-N-norbornan-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-bicyclo[2.2.1]heptanyl)-4-(4-ethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-bicyclo[2.2.1]heptanyl)-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-norbornyl)-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC4CCC3C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC4CCC3C4

InChI

InChI=1S/C20H29N3O3S2/c1-2-26-17-5-7-18(8-6-17)28(24,25)23-11-9-22(10-12-23)20(27)21-19-14-15-3-4-16(19)13-15/h5-8,15-16,19H,2-4,9-14H2,1H3,(H,21,27)