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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C15H22N7O2S+ MolecularWeight: 364.44588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N7O2S/c23-14(11-22-13-4-2-1-3-12(13)17-20-22)18-19-15(25)16-5-6-21-7-9-24-10-8-21/h1-4H,5-11H2,(H,18,23)(H2,16,19,25)/p+1