N-butyl-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(4-isopropylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-p-cumenylsulfonyl-piperazine-1-carbothioamide Formula: C18H29N3O2S2 MolecularWeight: 383.57176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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