1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H25N4OS2+ MolecularWeight: 365.5366

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C17H24N4OS2/c1-20(13-16-19-14-5-2-3-6-15(14)24-16)17(23)18-7-4-8-21-9-11-22-12-10-21/h2-3,5-6H,4,7-13H2,1H3,(H,18,23)/p+1