4-(4-tert-butylphenyl)sulfonyl-N-naphthalen-1-yl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-naphthalen-1-yl-piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-(1-naphthyl)piperazine-1-carbothioamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-(1-naphthalenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-naphthalen-1-ylpiperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-(1-naphthyl)piperazine-1-carbothioamide Formula: C25H29N3O2S2 MolecularWeight: 467.64666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O2S2/c1-25(2,3)20-11-13-21(14-12-20)32(29,30)28-17-15-27(16-18-28)24(31)26-23-10-6-8-19-7-4-5-9-22(19)23/h4-14H,15-18H2,1-3H3,(H,26,31)