N-(2-ethylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-ethylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(2-ethylphenyl)piperazine-1-carbothioamide CAS Name: N-(2-ethylphenyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(2-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(2-ethylphenyl)piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-2-18-10-6-7-11-19(18)21-20(26)22-12-14-23(15-13-22)27(24,25)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,21,26)