1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-1-(3-nitrophenyl)butylideneamino]thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-1-(3-nitrophenyl)butylideneamino]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-1-(3-nitrophenyl)butylideneamino]thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[(Z)-1-(3-nitrophenyl)butylideneamino]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-1-(3-nitrophenyl)butylideneamino]thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-1-(3-nitrophenyl)butylideneamino]thiourea Formula: C17H26N5O3S+ MolecularWeight: 380.48504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=S)NCC[NH+]1CCOCC1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC/C(=N/NC(=S)NCC[NH+]1CCOCC1)/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O3S/c1-2-4-16(14-5-3-6-15(13-14)22(23)24)19-20-17(26)18-7-8-21-9-11-25-12-10-21/h3,5-6,13H,2,4,7-12H2,1H3,(H2,18,20,26)/p+1/b19-16-