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

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethoxybenzyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27N3O3S/c1-25-18-6-4-5-17(14-18)22-21(28)24-11-9-23(10-12-24)15-16-13-19(26-2)7-8-20(16)27-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,28)