1-[[4-[3-(dodecylsulfonylamino)phenyl]-5-isocyano-1,3-thiazol-2-yl]amino]-3-heptan-3-yl-urea

Systemtic Name: 1-[[4-[3-(dodecylsulfonylamino)phenyl]-5-isocyano-1,3-thiazol-2-yl]amino]-3-heptan-3-yl-urea Openeye Name: 1-[[4-[3-(dodecylsulfonylamino)phenyl]-5-isocyano-thiazol-2-yl]amino]-3-(1-ethylpentyl)urea CAS Name: 1-[[4-[3-(dodecylsulfonylamino)phenyl]-5-isocyano-2-thiazolyl]amino]-3-heptan-3-ylurea IUPAC Name: 1-[[4-[3-(dodecylsulfonylamino)phenyl]-5-isocyano-1,3-thiazol-2-yl]amino]-3-heptan-3-ylurea Traditional Name: 1-(1-ethylpentyl)-3-[[5-isocyano-4-[3-(laurylsulfonylamino)phenyl]thiazol-2-yl]amino]urea Formula: C30H48N6O3S2 MolecularWeight: 604.87052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)NC1=CC=CC(=C1)C2=C(SC(=N2)NNC(=O)NC(CC)CCCC)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)NC1=CC=CC(=C1)C2=C(SC(=N2)NNC(=O)NC(CC)CCCC)[N+]#[C-]

InChI

InChI=1S/C30H48N6O3S2/c1-5-8-10-11-12-13-14-15-16-17-22-41(38,39)36-26-21-18-19-24(23-26)27-28(31-4)40-30(33-27)35-34-29(37)32-25(7-3)20-9-6-2/h18-19,21,23,25,36H,5-17,20,22H2,1-3H3,(H,33,35)(H2,32,34,37)