1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[(2R)-2-(4-cyanophenoxy)-1-oxopropyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H26N5O3S+ MolecularWeight: 392.49574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCC[NH+]1CCOCC1)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NNC(=S)NCCC[NH+]1CCOCC1)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H25N5O3S/c1-14(26-16-5-3-15(13-19)4-6-16)17(24)21-22-18(27)20-7-2-8-23-9-11-25-12-10-23/h3-6,14H,2,7-12H2,1H3,(H,21,24)(H2,20,22,27)/p+1/t14-/m1/s1