N-[(3,4-dichlorophenyl)methyl]-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorobenzyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide Formula: C17H21Cl2N3O2S MolecularWeight: 402.33854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H21Cl2N3O2S/c18-13-4-3-12(10-14(13)19)11-20-17(25)22-7-5-21(6-8-22)16(23)15-2-1-9-24-15/h3-4,10,15H,1-2,5-9,11H2,(H,20,25)