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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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