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

Systemtic Name: N-(4-butylphenyl)-4-thiophen-2-ylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(thiophene-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[oxo(thiophen-2-yl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(thiophene-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(2-thenoyl)piperazine-1-carbothioamide Formula: C20H25N3OS2 MolecularWeight: 387.562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3OS2/c1-2-3-5-16-7-9-17(10-8-16)21-20(25)23-13-11-22(12-14-23)19(24)18-6-4-15-26-18/h4,6-10,15H,2-3,5,11-14H2,1H3,(H,21,25)