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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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