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

Systemtic Name: 4-(4-ethanoylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-o-phenetyl-piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-3-26-20-7-5-4-6-19(20)22-21(27)24-14-12-23(13-15-24)18-10-8-17(9-11-18)16(2)25/h4-11H,3,12-15H2,1-2H3,(H,22,27)