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

Systemtic Name: 1-[2-(3-methylphenoxy)ethanoylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[[2-(3-methylphenoxy)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[2-(3-methylphenoxy)-1-oxoethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[[2-(3-methylphenoxy)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[[2-(3-methylphenoxy)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H27N4O3S+ MolecularWeight: 367.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H26N4O3S/c1-14-4-2-5-15(12-14)24-13-16(22)19-20-17(25)18-6-3-7-21-8-10-23-11-9-21/h2,4-5,12H,3,6-11,13H2,1H3,(H,19,22)(H2,18,20,25)/p+1