N-(2,5-dimethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2,5-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(=C3)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)C

InChI

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