4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloranyl-2-phenoxy-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloranyl-2-phenoxy-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-phenoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-phenoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-phenoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5

InChI

InChI=1S/C25H24ClN3O3S/c26-19-7-9-22(32-20-4-2-1-3-5-20)21(15-19)27-25(33)29-12-10-28(11-13-29)16-18-6-8-23-24(14-18)31-17-30-23/h1-9,14-15H,10-13,16-17H2,(H,27,33)