4-(4-tert-butylphenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-propylpiperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Formula: C18H29N3O2S2 MolecularWeight: 383.57176

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H29N3O2S2/c1-5-10-19-17(24)20-11-13-21(14-12-20)25(22,23)16-8-6-15(7-9-16)18(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,19,24)