3-[(2S)-butan-2-yl]-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-[(2S)-butan-2-yl]-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-[(1S)-1-methylpropyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-[(2S)-butan-2-yl]-1-(2-furanylmethyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-[(2S)-butan-2-yl]-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-furfuryl)-3-[(1S)-1-methylpropyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H30N3O2S+ MolecularWeight: 340.504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N(CCC[NH+]1CCOCC1)CC2=CC=CO2

Isomeric SMILES

CC[C@H](C)NC(=S)N(CCC[NH+]1CCOCC1)CC2=CC=CO2

InChI

InChI=1S/C17H29N3O2S/c1-3-15(2)18-17(23)20(14-16-6-4-11-22-16)8-5-7-19-9-12-21-13-10-19/h4,6,11,15H,3,5,7-10,12-14H2,1-2H3,(H,18,23)/p+1/t15-/m0/s1