N-(2,6-dimethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2,6-dimethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(2,6-dimethylphenyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,6-dimethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2,6-dimethylphenyl)-4-o-phenetyl-piperazine-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H27N3OS/c1-4-25-19-11-6-5-10-18(19)23-12-14-24(15-13-23)21(26)22-20-16(2)8-7-9-17(20)3/h5-11H,4,12-15H2,1-3H3,(H,22,26)