1-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(2-methyl-1,3-benzoxazol-5-yl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C16H22N4O2S/c1-12-18-14-11-13(3-4-15(14)22-12)19-16(23)17-5-2-6-20-7-9-21-10-8-20/h3-4,11H,2,5-10H2,1H3,(H2,17,19,23)/p+1