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

Systemtic Name: 4-(2,5-dimethylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)-N-(4-phenoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3OS/c1-19-8-9-20(2)24(18-19)27-14-16-28(17-15-27)25(30)26-21-10-12-23(13-11-21)29-22-6-4-3-5-7-22/h3-13,18H,14-17H2,1-2H3,(H,26,30)