4-(oxolan-2-ylcarbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(oxolan-2-ylcarbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-phenoxyphenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide CAS Name: 4-[oxo(2-oxolanyl)methyl]-N-(4-phenoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(oxolane-2-carbonyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-phenoxyphenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-21(20-7-4-16-27-20)24-12-14-25(15-13-24)22(29)23-17-8-10-19(11-9-17)28-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,23,29)