1-[5-chloranyl-2-(3-methylphenoxy)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[5-chloranyl-2-(3-methylphenoxy)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[5-chloro-2-(3-methylphenoxy)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[5-chloro-2-(3-methylphenoxy)phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[5-chloro-2-(3-methylphenoxy)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[5-chloro-2-(3-methylphenoxy)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H25ClN3O2S+ MolecularWeight: 406.9494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)Cl)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)Cl)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C20H24ClN3O2S/c1-15-3-2-4-17(13-15)26-19-6-5-16(21)14-18(19)23-20(27)22-7-8-24-9-11-25-12-10-24/h2-6,13-14H,7-12H2,1H3,(H2,22,23,27)/p+1