N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenylpiperazine-1-carbothioamide Traditional Name: 4-phenyl-N-piperonyl-piperazine-1-carbothioamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O2S/c25-19(20-13-15-6-7-17-18(12-15)24-14-23-17)22-10-8-21(9-11-22)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,25)