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

Systemtic Name: 1-methyl-5-[1-methyl-5-(nonylcarbamothioyl)pyrrol-2-yl]-N-nonyl-pyrrole-2-carbothioamide Openeye Name: 1-methyl-5-[1-methyl-5-(nonylcarbamothioyl)pyrrol-2-yl]-N-nonyl-pyrrole-2-carbothioamide CAS Name: 1-methyl-5-[1-methyl-5-[(nonylamino)-sulfanylidenemethyl]-2-pyrrolyl]-N-nonyl-2-pyrrolecarbothioamide IUPAC Name: 1-methyl-5-[1-methyl-5-(nonylcarbamothioyl)pyrrol-2-yl]-N-nonylpyrrole-2-carbothioamide Traditional Name: 1-methyl-5-[1-methyl-5-(nonylthiocarbamoyl)pyrrol-2-yl]-N-nonyl-pyrrole-2-carbothioamide Formula: C30H50N4S2 MolecularWeight: 530.8748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=S)C1=CC=C(N1C)C2=CC=C(N2C)C(=S)NCCCCCCCCC

Isomeric SMILES

CCCCCCCCCNC(=S)C1=CC=C(N1C)C2=CC=C(N2C)C(=S)NCCCCCCCCC

InChI

InChI=1S/C30H50N4S2/c1-5-7-9-11-13-15-17-23-31-29(35)27-21-19-25(33(27)3)26-20-22-28(34(26)4)30(36)32-24-18-16-14-12-10-8-6-2/h19-22H,5-18,23-24H2,1-4H3,(H,31,35)(H,32,36)