N-(4-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(4-pyridylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(pyridin-4-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(4-pyridylmethyl)piperazine-1-carbothioamide Formula: C21H28N4S MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H28N4S/c1-2-3-4-18-5-7-20(8-6-18)23-21(26)25-15-13-24(14-16-25)17-19-9-11-22-12-10-19/h5-12H,2-4,13-17H2,1H3,(H,23,26)