3-methyl-4-(3-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 3-methyl-4-(3-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Openeye Name: 3-methyl-4-(m-tolyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide CAS Name: 3-methyl-4-(3-methylphenyl)-N-(4-phenoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 3-methyl-4-(3-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Traditional Name: 3-methyl-4-(m-tolyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

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