N-dodecyl-3-[(4Z)-5-oxidanylidene-4-(oxidanylmethylidene)-2-(phenylmethylsulfanyl)imidazol-1-yl]benzamide

Systemtic Name: N-dodecyl-3-[(4Z)-5-oxidanylidene-4-(oxidanylmethylidene)-2-(phenylmethylsulfanyl)imidazol-1-yl]benzamide Openeye Name: 3-[(4Z)-2-benzylsulfanyl-4-(hydroxymethylene)-5-oxo-imidazol-1-yl]-N-dodecyl-benzamide CAS Name: N-dodecyl-3-[(4Z)-4-(hydroxymethylidene)-5-oxo-2-(phenylmethylthio)-1-imidazolyl]benzamide IUPAC Name: 3-[(4Z)-2-benzylsulfanyl-4-(hydroxymethylidene)-5-oxoimidazol-1-yl]-N-dodecylbenzamide Traditional Name: 3-[(4Z)-2-(benzylthio)-4-(hydroxymethylene)-5-keto-2-imidazolin-1-yl]-N-lauryl-benzamide Formula: C30H39N3O3S MolecularWeight: 521.71396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)N2C(=O)C(=CO)N=C2SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)N2C(=O)/C(=C/O)/N=C2SCC3=CC=CC=C3

InChI

InChI=1S/C30H39N3O3S/c1-2-3-4-5-6-7-8-9-10-14-20-31-28(35)25-18-15-19-26(21-25)33-29(36)27(22-34)32-30(33)37-23-24-16-12-11-13-17-24/h11-13,15-19,21-22,34H,2-10,14,20,23H2,1H3,(H,31,35)/b27-22-