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

Systemtic Name: 4-(4-ethoxyphenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-ethoxyphenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-2-26-18-8-10-19(11-9-18)28(24,25)23-14-12-22(13-15-23)20(27)21-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,21,27)