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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-formylpiperazine-1-carbothioamide Traditional Name: 4-formyl-N-piperonyl-piperazine-1-carbothioamide Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1C=O)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17N3O3S/c18-9-16-3-5-17(6-4-16)14(21)15-8-11-1-2-12-13(7-11)20-10-19-12/h1-2,7,9H,3-6,8,10H2,(H,15,21)