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

Systemtic Name: 1-[3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea Openeye Name: 1-[3-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea CAS Name: 1-[3-[[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]methyl]phenyl]-3-propylthiourea IUPAC Name: 1-[3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propylthiourea Traditional Name: 1-[3-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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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

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

InChI

InChI=1S/C26H26N4O2S/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)/p+1