N-(2-ethoxyphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-o-phenetyl-piperazine-1-carbothioamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3S2/c1-2-25-18-11-7-6-10-17(18)20-19(26)21-12-14-22(15-13-21)27(23,24)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,20,26)