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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-p-anisyl-piperazine-1-carbothioamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O3S/c1-24-17-5-2-15(3-6-17)13-22-8-10-23(11-9-22)20(27)21-16-4-7-18-19(12-16)26-14-25-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,27)