N-(5-chloranyl-2-phenoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-4-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C25H26ClN3OS MolecularWeight: 452.01144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3OS/c1-18-8-9-19(2)23(16-18)28-12-14-29(15-13-28)25(31)27-22-17-20(26)10-11-24(22)30-21-6-4-3-5-7-21/h3-11,16-17H,12-15H2,1-2H3,(H,27,31)