1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C16H24N7O2S+ MolecularWeight: 378.47246

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H23N7O2S/c24-15(12-23-14-5-2-1-4-13(14)18-21-23)19-20-16(26)17-6-3-7-22-8-10-25-11-9-22/h1-2,4-5H,3,6-12H2,(H,19,24)(H2,17,20,26)/p+1