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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)piperazine-1-carbothioamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O2S/c19-13-1-3-14(4-2-13)20-18(25)22-9-7-21(8-10-22)15-5-6-16-17(11-15)24-12-23-16/h1-6,11H,7-10,12H2,(H,20,25)