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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-propyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-propyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-propyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-propylpiperazine-1-carbothioamide Traditional Name: N-piperonyl-4-propyl-piperazine-1-carbothioamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCN1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H23N3O2S/c1-2-5-18-6-8-19(9-7-18)16(22)17-11-13-3-4-14-15(10-13)21-12-20-14/h3-4,10H,2,5-9,11-12H2,1H3,(H,17,22)