4-(4-ethylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(4-ethylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(4-ethylphenyl)sulfonyl-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-ethylphenyl)sulfonyl-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(4-ethylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-2-18-8-10-20(11-9-18)28(25,26)24-16-14-23(15-17-24)21(27)22-13-12-19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,22,27)