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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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