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

Systemtic Name: 1-[4-[(4-methoxyphenyl)amino]phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[4-(4-methoxyanilino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[4-(4-methoxyanilino)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[4-(4-methoxyanilino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[4-(p-anisidino)phenyl]thiourea Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H28N4O2S/c1-26-20-9-7-18(8-10-20)23-17-3-5-19(6-4-17)24-21(28)22-11-2-12-25-13-15-27-16-14-25/h3-10,23H,2,11-16H2,1H3,(H2,22,24,28)/p+1