1-[3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea bromide

Systemtic Name: 1-[3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea bromide Openeye Name: 1-[3-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea bromide CAS Name: 1-[3-[[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]methyl]phenyl]-3-propylthiourea bromide IUPAC Name: 1-[3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propylthiourea bromide Traditional Name: 1-[3-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea bromide Formula: C26H27BrN4O2S MolecularWeight: 539.48718

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CC=CC(=C1)C[N+]2=CC=C(C=C2)C3=NC=C(O3)C4=CC=C(C=C4)OC.[Br-]

Isomeric SMILES

CCCNC(=S)NC1=CC=CC(=C1)C[N+]2=CC=C(C=C2)C3=NC=C(O3)C4=CC=C(C=C4)OC.[Br-]

InChI

InChI=1S/C26H26N4O2S.BrH/c1-3-13-27-26(33)29-22-6-4-5-19(16-22)18-30-14-11-21(12-15-30)25-28-17-24(32-25)20-7-9-23(31-2)10-8-20;/h4-12,14-17H,3,13,18H2,1-2H3,(H-,27,29,33);1H