N-(4-ethanoylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-ethanoylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-m-anisyl-piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-16(25)18-6-8-19(9-7-18)22-21(27)24-12-10-23(11-13-24)15-17-4-3-5-20(14-17)26-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,27)