4-(1,3-benzodioxol-5-yl)-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C18H19N3O2S/c24-18(19-14-4-2-1-3-5-14)21-10-8-20(9-11-21)15-6-7-16-17(12-15)23-13-22-16/h1-7,12H,8-11,13H2,(H,19,24)