N-hexyl-5-[5-(hexylcarbamothioyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide

Systemtic Name: N-hexyl-5-[5-(hexylcarbamothioyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide Openeye Name: N-hexyl-5-[5-(hexylcarbamothioyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide CAS Name: N-hexyl-5-[5-[(hexylamino)-sulfanylidenemethyl]-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide IUPAC Name: N-hexyl-5-[5-(hexylcarbamothioyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide Traditional Name: N-hexyl-5-[5-(hexylthiocarbamoyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide Formula: C22H34N4S2 MolecularWeight: 418.66216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)C1=CC=C(N1)C2=CC=C(N2)C(=S)NCCCCCC

Isomeric SMILES

CCCCCCNC(=S)C1=CC=C(N1)C2=CC=C(N2)C(=S)NCCCCCC

InChI

InChI=1S/C22H34N4S2/c1-3-5-7-9-15-23-21(27)19-13-11-17(25-19)18-12-14-20(26-18)22(28)24-16-10-8-6-4-2/h11-14,25-26H,3-10,15-16H2,1-2H3,(H,23,27)(H,24,28)