1-[4-(4-methylphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[4-(4-methylphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[4-(4-methylphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[4-(4-methylphenoxy)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[4-(4-methylphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[4-(4-methylphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-17-3-7-19(8-4-17)26-20-9-5-18(6-10-20)23-21(27)22-11-2-12-24-13-15-25-16-14-24/h3-10H,2,11-16H2,1H3,(H2,22,23,27)/p+1