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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholinopropyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[3-(4-morpholinyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: N-(3-morpholinopropyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NCCCN4CCOCC4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NCCCN4CCOCC4

InChI

InChI=1S/C20H30N4O3S/c28-20(21-4-1-5-22-10-12-25-13-11-22)24-8-6-23(7-9-24)15-17-2-3-18-19(14-17)27-16-26-18/h2-3,14H,1,4-13,15-16H2,(H,21,28)