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

Systemtic Name: N-(4-butylphenyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3

InChI

InChI=1S/C20H29N3O2S/c1-2-3-5-16-7-9-17(10-8-16)21-20(26)23-13-11-22(12-14-23)19(24)18-6-4-15-25-18/h7-10,18H,2-6,11-15H2,1H3,(H,21,26)