N-(2,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-m-anisyl-piperazine-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27N3OS/c1-16-7-8-17(2)20(13-16)22-21(26)24-11-9-23(10-12-24)15-18-5-4-6-19(14-18)25-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,26)