N-[(4-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H24ClN3O2S2 MolecularWeight: 438.00646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O2S2/c1-2-16-5-9-19(10-6-16)28(25,26)24-13-11-23(12-14-24)20(27)22-15-17-3-7-18(21)8-4-17/h3-10H,2,11-15H2,1H3,(H,22,27)