1-(3-morpholin-4-ium-4-ylpropyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[(2S)-2-(2-naphthyloxy)propanoyl]amino]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[[(2S)-2-(2-naphthalenyloxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[(2S)-2-(2-naphthoxy)propanoyl]amino]thiourea Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCC[NH+]1CCOCC1)OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NCCC[NH+]1CCOCC1)OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H28N4O3S/c1-16(28-19-8-7-17-5-2-3-6-18(17)15-19)20(26)23-24-21(29)22-9-4-10-25-11-13-27-14-12-25/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,23,26)(H2,22,24,29)/p+1/t16-/m0/s1