4-(4-butylphenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide Formula: C17H27N3O2S2 MolecularWeight: 369.54518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC

InChI

InChI=1S/C17H27N3O2S2/c1-3-5-6-15-7-9-16(10-8-15)24(21,22)20-13-11-19(12-14-20)17(23)18-4-2/h7-10H,3-6,11-14H2,1-2H3,(H,18,23)