1-[3-[3-(3-dodecoxyphenyl)-5-methanoyl-4-sulfanyl-2-sulfanylidene-imidazol-1-yl]phenyl]-3-hexyl-urea

Systemtic Name: 1-[3-[3-(3-dodecoxyphenyl)-5-methanoyl-4-sulfanyl-2-sulfanylidene-imidazol-1-yl]phenyl]-3-hexyl-urea Openeye Name: 1-[3-[3-(3-dodecoxyphenyl)-5-formyl-4-sulfanyl-2-thioxo-imidazol-1-yl]phenyl]-3-hexyl-urea CAS Name: 1-[3-[3-(3-dodecoxyphenyl)-5-formyl-4-mercapto-2-sulfanylidene-1-imidazolyl]phenyl]-3-hexylurea IUPAC Name: 1-[3-[3-(3-dodecoxyphenyl)-5-formyl-4-sulfanyl-2-sulfanylideneimidazol-1-yl]phenyl]-3-hexylurea Traditional Name: 1-[3-[5-formyl-3-(3-lauryloxyphenyl)-4-mercapto-2-thioxo-4-imidazolin-1-yl]phenyl]-3-hexyl-urea Formula: C35H50N4O3S2 MolecularWeight: 638.9265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)N2C(=C(N(C2=S)C3=CC(=CC=C3)NC(=O)NCCCCCC)C=O)S

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)N2C(=C(N(C2=S)C3=CC(=CC=C3)NC(=O)NCCCCCC)C=O)S

InChI

InChI=1S/C35H50N4O3S2/c1-3-5-7-9-10-11-12-13-14-16-24-42-31-22-18-21-30(26-31)39-33(43)32(27-40)38(35(39)44)29-20-17-19-28(25-29)37-34(41)36-23-15-8-6-4-2/h17-22,25-27,43H,3-16,23-24H2,1-2H3,(H2,36,37,41)