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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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