1-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(4-nitrophenyl)thiourea Formula: C17H21N4O3S2+ MolecularWeight: 393.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H20N4O3S2/c22-21(23)14-5-3-13(4-6-14)19-17(25)18-12-15(16-2-1-11-26-16)20-7-9-24-10-8-20/h1-6,11,15H,7-10,12H2,(H2,18,19,25)/p+1/t15-/m0/s1