1-[(Z)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H26N5O3S+ MolecularWeight: 380.48504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=NNC(=S)NCCC[NH+]2CCOCC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=N\NC(=S)NCCC[NH+]2CCOCC2)/C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O3S/c1-13-4-5-15(12-16(13)22(23)24)14(2)19-20-17(26)18-6-3-7-21-8-10-25-11-9-21/h4-5,12H,3,6-11H2,1-2H3,(H2,18,20,26)/p+1/b19-14-