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

Systemtic Name: N-(2,5-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxybenzyl)piperazine-1-carbothioamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-16-6-7-17(2)19(14-16)24-23(30)26-12-10-25(11-13-26)15-18-8-9-20(27-3)22(29-5)21(18)28-4/h6-9,14H,10-13,15H2,1-5H3,(H,24,30)