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

Systemtic Name: 1-[2-(4-tert-butylphenoxy)ethanoylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H33N4O3S+ MolecularWeight: 409.56602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3S/c1-20(2,3)16-5-7-17(8-6-16)27-15-18(25)22-23-19(28)21-9-4-10-24-11-13-26-14-12-24/h5-8H,4,9-15H2,1-3H3,(H,22,25)(H2,21,23,28)/p+1