1-(5-chloranyl-2-phenylsulfanyl-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(5-chloranyl-2-phenylsulfanyl-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(5-chloro-2-phenylsulfanyl-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[5-chloro-2-(phenylthio)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(5-chloro-2-phenylsulfanylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[5-chloro-2-(phenylthio)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H25ClN3OS2+ MolecularWeight: 423.015

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=C(C=CC(=C2)Cl)SC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=C(C=CC(=C2)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3OS2/c21-16-7-8-19(27-17-5-2-1-3-6-17)18(15-16)23-20(26)22-9-4-10-24-11-13-25-14-12-24/h1-3,5-8,15H,4,9-14H2,(H2,22,23,26)/p+1