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

Systemtic Name: 1-[2-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]ethyl]-3-propyl-thiourea Openeye Name: 1-[2-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]ethyl]-3-propyl-thiourea CAS Name: 1-[2-[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]ethyl]-3-propylthiourea IUPAC Name: 1-[2-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]ethyl]-3-propylthiourea Traditional Name: 1-[2-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]ethyl]-3-propyl-thiourea Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NCC[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCNC(=S)NCC[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-3-10-22-21(28)23-11-14-25-12-8-17(9-13-25)20-24-15-19(27-20)16-4-6-18(26-2)7-5-16/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H-,22,23,28)/p+1