4-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-p-phenetyl-piperazine-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

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