N-butyl-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(4-ethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C17H27N3O3S2/c1-3-5-10-18-17(24)19-11-13-20(14-12-19)25(21,22)16-8-6-15(7-9-16)23-4-2/h6-9H,3-5,10-14H2,1-2H3,(H,18,24)