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

Systemtic Name: N,4-bis(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide Openeye Name: N,4-bis(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide CAS Name: N,4-bis(1,3-benzodioxol-5-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N,4-bis(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide Traditional Name: N,4-dipiperonylpiperazine-1-carbothioamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H23N3O4S/c29-21(22-11-15-1-3-17-19(9-15)27-13-25-17)24-7-5-23(6-8-24)12-16-2-4-18-20(10-16)28-14-26-18/h1-4,9-10H,5-8,11-14H2,(H,22,29)