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

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-(4-phenoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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