1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C16H21Cl2N4OS+ MolecularWeight: 388.33514

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(CCC#N)C(=S)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1COCC[NH+]1CCN(CCC#N)C(=S)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H20Cl2N4OS/c17-14-3-2-13(12-15(14)18)20-16(24)22(5-1-4-19)7-6-21-8-10-23-11-9-21/h2-3,12H,1,5-11H2,(H,20,24)/p+1