1-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-(4-chloro-3-nitro-phenyl)methyleneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-(4-chloro-3-nitro-benzylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C15H21ClN5O3S+ MolecularWeight: 386.87694

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N/N=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H20ClN5O3S/c16-13-3-2-12(10-14(13)21(22)23)11-18-19-15(25)17-4-1-5-20-6-8-24-9-7-20/h2-3,10-11H,1,4-9H2,(H2,17,19,25)/p+1/b18-11-