1-[[5-isocyano-4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]amino]-3-pentadecan-7-yl-urea

Systemtic Name: 1-[[5-isocyano-4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]amino]-3-pentadecan-7-yl-urea Openeye Name: 1-(1-hexylnonyl)-3-[[5-isocyano-4-[3-(methanesulfonamido)phenyl]thiazol-2-yl]amino]urea CAS Name: 1-[[5-isocyano-4-[3-(methanesulfonamido)phenyl]-2-thiazolyl]amino]-3-pentadecan-7-ylurea IUPAC Name: 1-[[5-isocyano-4-[3-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-pentadecan-7-ylurea Traditional Name: 1-(1-hexylnonyl)-3-[[5-isocyano-4-[3-(methanesulfonamido)phenyl]thiazol-2-yl]amino]urea Formula: C27H42N6O3S2 MolecularWeight: 562.79078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)NC(=O)NNC1=NC(=C(S1)[N+]#[C-])C2=CC(=CC=C2)NS(=O)(=O)C

Isomeric SMILES

CCCCCCCCC(CCCCCC)NC(=O)NNC1=NC(=C(S1)[N+]#[C-])C2=CC(=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C27H42N6O3S2/c1-5-7-9-11-12-14-18-22(17-13-10-8-6-2)29-26(34)31-32-27-30-24(25(28-3)37-27)21-16-15-19-23(20-21)33-38(4,35)36/h15-16,19-20,22,33H,5-14,17-18H2,1-2,4H3,(H,30,32)(H2,29,31,34)