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

Systemtic Name: N-hexyl-5-[5-(hexylcarbamothioyl)-1-methyl-pyrrol-2-yl]-1-methyl-pyrrole-2-carbothioamide Openeye Name: N-hexyl-5-[5-(hexylcarbamothioyl)-1-methyl-pyrrol-2-yl]-1-methyl-pyrrole-2-carbothioamide CAS Name: N-hexyl-5-[5-[(hexylamino)-sulfanylidenemethyl]-1-methyl-2-pyrrolyl]-1-methyl-2-pyrrolecarbothioamide IUPAC Name: N-hexyl-5-[5-(hexylcarbamothioyl)-1-methylpyrrol-2-yl]-1-methylpyrrole-2-carbothioamide Traditional Name: N-hexyl-5-[5-(hexylthiocarbamoyl)-1-methyl-pyrrol-2-yl]-1-methyl-pyrrole-2-carbothioamide Formula: C24H38N4S2 MolecularWeight: 446.71532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)C1=CC=C(N1C)C2=CC=C(N2C)C(=S)NCCCCCC

Isomeric SMILES

CCCCCCNC(=S)C1=CC=C(N1C)C2=CC=C(N2C)C(=S)NCCCCCC

InChI

InChI=1S/C24H38N4S2/c1-5-7-9-11-17-25-23(29)21-15-13-19(27(21)3)20-14-16-22(28(20)4)24(30)26-18-12-10-8-6-2/h13-16H,5-12,17-18H2,1-4H3,(H,25,29)(H,26,30)