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

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-butylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2S2/c1-2-3-7-19-10-12-21(13-11-19)29(26,27)25-16-14-24(15-17-25)22(28)23-18-20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-18H2,1H3,(H,23,28)