N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxyethyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide Traditional Name: 4-(2-hydroxyethyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CCO)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H21N3O3S/c19-8-7-17-3-5-18(6-4-17)15(22)16-10-12-1-2-13-14(9-12)21-11-20-13/h1-2,9,19H,3-8,10-11H2,(H,16,22)