1-[1,3-bis(oxidanyl)-1-(5-undec-1-ynylthiophen-2-yl)propyl]-3-methyl-urea

Systemtic Name: 1-[1,3-bis(oxidanyl)-1-(5-undec-1-ynylthiophen-2-yl)propyl]-3-methyl-urea Openeye Name: 1-[1,3-dihydroxy-1-(5-undec-1-ynyl-2-thienyl)propyl]-3-methyl-urea CAS Name: 1-[1,3-dihydroxy-1-(5-undec-1-ynyl-2-thiophenyl)propyl]-3-methylurea IUPAC Name: 1-[1,3-dihydroxy-1-(5-undec-1-ynylthiophen-2-yl)propyl]-3-methylurea Traditional Name: 1-[1,3-dihydroxy-1-(5-undec-1-ynyl-2-thienyl)propyl]-3-methyl-urea Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC#CC1=CC=C(S1)C(CCO)(NC(=O)NC)O

Isomeric SMILES

CCCCCCCCCC#CC1=CC=C(S1)C(CCO)(NC(=O)NC)O

InChI

InChI=1S/C20H32N2O3S/c1-3-4-5-6-7-8-9-10-11-12-17-13-14-18(26-17)20(25,15-16-23)22-19(24)21-2/h13-14,23,25H,3-10,15-16H2,1-2H3,(H2,21,22,24)