N-(3-chlorophenyl)-2-[[(E)-octadec-1-enyl]amino]-4,5-dihydroimidazole-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-2-[[(E)-octadec-1-enyl]amino]-4,5-dihydroimidazole-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-2-[[(E)-octadec-1-enyl]amino]-4,5-dihydroimidazole-1-carbothioamide CAS Name: N-(3-chlorophenyl)-2-[[(E)-octadec-1-enyl]amino]-4,5-dihydroimidazole-1-carbothioamide IUPAC Name: N-(3-chlorophenyl)-2-[[(E)-octadec-1-enyl]amino]-4,5-dihydroimidazole-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-2-[[(E)-octadec-1-enyl]amino]-2-imidazoline-1-carbothioamide Formula: C28H45ClN4S MolecularWeight: 505.2017

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CNC1=NCCN1C(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/NC1=NCCN1C(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C28H45ClN4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-27-31-22-23-33(27)28(34)32-26-20-18-19-25(29)24-26/h17-21,24H,2-16,22-23H2,1H3,(H,30,31)(H,32,34)/b21-17+