1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H27N4OS2+ MolecularWeight: 379.56318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H26N4OS2/c1-14(17-20-15-6-3-4-7-16(15)25-17)21(2)18(24)19-8-5-9-22-10-12-23-13-11-22/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,24)/p+1/t14-/m1/s1