N-nonyl-5-[5-(nonylcarbamothioyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide

Systemtic Name: N-nonyl-5-[5-(nonylcarbamothioyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide Openeye Name: N-nonyl-5-[5-(nonylcarbamothioyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide CAS Name: N-nonyl-5-[5-[(nonylamino)-sulfanylidenemethyl]-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide IUPAC Name: N-nonyl-5-[5-(nonylcarbamothioyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide Traditional Name: N-nonyl-5-[5-(nonylthiocarbamoyl)-1H-pyrrol-2-yl]-1H-pyrrole-2-carbothioamide Formula: C28H46N4S2 MolecularWeight: 502.82164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=S)C1=CC=C(N1)C2=CC=C(N2)C(=S)NCCCCCCCCC

Isomeric SMILES

CCCCCCCCCNC(=S)C1=CC=C(N1)C2=CC=C(N2)C(=S)NCCCCCCCCC

InChI

InChI=1S/C28H46N4S2/c1-3-5-7-9-11-13-15-21-29-27(33)25-19-17-23(31-25)24-18-20-26(32-24)28(34)30-22-16-14-12-10-8-6-4-2/h17-20,31-32H,3-16,21-22H2,1-2H3,(H,29,33)(H,30,34)