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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)OC

InChI

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